Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol] structure

Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol]

TL;DR: Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol] (CAS 67815-75-2) is a chemical compound with molecular formula C30H38N4O13 and molecular weight 662.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol

Also Known As: Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol], (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O3.C2-H6-O2)x-, 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; ethane-1,2-diol; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol, Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis(ethanol), Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene,2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol]

CAS: 67815-75-2
Molecular Formula C30H38N4O13
Molecular Weight 662.24 g/mol
LogP 2.53384
Topological Polar Surface Area 282.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 17
Rotatable Bonds 14
Exact Mass 662.2435
Heavy Atoms 47
Complexity 649.0

Chemical Identifiers

CAS Number 67815-75-2
SMILES CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CO)O.C(COCCO)O
InChIKey QRBUDVXJCOSUPE-UHFFFAOYSA-N

Product Overview

Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol] (CAS 67815-75-2), with molecular formula C30H38N4O13 and molecular weight 662.24 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol]

XLogP
2.53384
TPSA (Topological Polar Surface Area)
282.0
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
17
Rotatable Bonds
14
Heavy Atoms
47
Complexity
649.0
Exact Mass
662.2435
Monoisotopic Mass
662.2435
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol]

The XLogP value of 2.53384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol]. The TPSA of 282.0 Ų indicates high polarity, suggesting Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol] has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol]?

The CAS number of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol] is 67815-75-2.

What is the molecular formula of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol]?

The molecular formula of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol] is C30H38N4O13.

What is the molecular weight of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol]?

The molecular weight of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol] is 662.24 g/mol.

Where can I buy Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol]?

You can request a quote for Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol]?

Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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