1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol
TL;DR: 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol (CAS 39373-37-0) is a chemical compound with molecular formula C17H22N2O7 and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol
Also Known As: KST-1B4679, 1,3-diisocyanato-2-methyl-benzene; 2-hydroxyethyl prop-2-enoate; 2-methoxyethanol, (C9-H6-N2-O2.C5-H8-O3.(C3H6-O)mult-H2-O)x-, Toluene diisocyanate, polypropylene glycol, beta-hydroxyethyl acrylate polymer, 1,3-diisocyanato-2-methylbenzene; 2-hydroxyethyl prop-2-enoate; 2-methoxyethanol
| Molecular Formula | C17H22N2O7 |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 1.26262 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 366.1427 |
| Heavy Atoms | 26 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 39373-37-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.COCCO.C=CC(=O)OCCO |
| InChIKey | VEJFFKAOQRIQJZ-UHFFFAOYSA-N |
Product Overview
1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol (CAS 39373-37-0), with molecular formula C17H22N2O7 and molecular weight 366.14 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol.
Chemical Property Profile of 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol
Property Insights of 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol
The XLogP value of 1.26262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol. Following Lipinski's Rule of Five, 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol has 2 hydrogen bond donor(s) and 9 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;2-hydroxyethyl prop-2-enoate;2-methoxyethanol?
The CAS number of 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol is 39373-37-0.
What is the molecular formula of 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol?
The molecular formula of 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol is C17H22N2O7.
What is the molecular weight of 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol?
The molecular weight of 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol is 366.14 g/mol.
Where can I buy 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol?
You can request a quote for 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol 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;2-hydroxyethyl prop-2-enoate;2-methoxyethanol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diisocyanato-2-methylbenzene;2-hydroxyethyl prop-2-enoate;2-methoxyethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.