RefChem:414492
TL;DR: RefChem:414492 (CAS 69011-30-9) is a chemical compound with molecular formula C22H30N2O10 and molecular weight 482.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;ethanol;hexanedioic acid;2-hydroxyethyl prop-2-enoate
Also Known As: (C9-H6-N2-O2.C6-H10-O4.C5-H8-O3.C2-H6-O2)x-, Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol, 2-hydroxyethyl acrylate-blocked, 1,3-diisocyanato-2-methyl-benzene; Ethanol; Hexanedioic Acid; 2-hydroxyethyl Prop-2-enoate, 1,3-diisocyanato-2-methylbenzene; ethanol; hexanedioic acid; 2-hydroxyethyl prop-2-enoate, 1,3-diisocyanato-2-methylbenzene;ethanol;hexanedioic acid;2-hydroxyethyl prop-2-enoate
| Molecular Formula | C22H30N2O10 |
|---|---|
| Molecular Weight | 482.19 g/mol |
| LogP | 2.35212 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 482.19003 |
| Heavy Atoms | 34 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 69011-30-9 |
|---|---|
| SMILES | CCO.CC1=C(C=CC=C1N=C=O)N=C=O.C=CC(=O)OCCO.C(CCC(=O)O)CC(=O)O |
| InChIKey | ZVUBJLUTMOPHOM-UHFFFAOYSA-N |
Product Overview
RefChem:414492 (CAS 69011-30-9), with molecular formula C22H30N2O10 and molecular weight 482.19 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;ethanol;hexanedioic acid;2-hydroxyethyl prop-2-enoate.
Chemical Property Profile of RefChem:414492
Property Insights of RefChem:414492
The XLogP value of 2.35212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:414492. The TPSA of 200.0 Ų indicates high polarity, suggesting RefChem:414492 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:414492 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:414492?
The CAS number of RefChem:414492 is 69011-30-9.
What is the molecular formula of RefChem:414492?
The molecular formula of RefChem:414492 is C22H30N2O10.
What is the molecular weight of RefChem:414492?
The molecular weight of RefChem:414492 is 482.19 g/mol.
Where can I buy RefChem:414492?
You can request a quote for RefChem:414492 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:414492?
Yes, KEHONG BIO provides custom synthesis services for RefChem:414492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.