1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane
TL;DR: 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane (CAS 69331-29-9) is a chemical compound with molecular formula C20H26N2O8 and molecular weight 422.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane
Also Known As: Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, methyloxirane and oxirane, (C9-H6-N2-O2.C6-H10-O4.C3-H6-O.C2-H4-O)x-, 1,3-diisocyanato-2-methyl-benzene; hexanedioic acid; 2-methyloxirane; oxirane, 1,3-diisocyanato-2-methylbenzene; hexanedioic acid; 2-methyloxirane; oxirane, Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 2-methyloxirane and oxirane
| Molecular Formula | C20H26N2O8 |
|---|---|
| Molecular Weight | 422.17 g/mol |
| LogP | 3.06732 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.1689 |
| Heavy Atoms | 30 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 69331-29-9 |
|---|---|
| SMILES | CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.C1CO1.C(CCC(=O)O)CC(=O)O |
| InChIKey | GNYQGNCTTAZIPJ-UHFFFAOYSA-N |
Product Overview
1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane (CAS 69331-29-9), with molecular formula C20H26N2O8 and molecular weight 422.17 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane.
Chemical Property Profile of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane
Property Insights of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane
The XLogP value of 3.06732 indicates that 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane?
The CAS number of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane is 69331-29-9.
What is the molecular formula of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane?
The molecular formula of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane is C20H26N2O8.
What is the molecular weight of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane?
The molecular weight of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane is 422.17 g/mol.
Where can I buy 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane?
You can request a quote for 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-methyloxirane;oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.