2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate
TL;DR: 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate (CAS 10310-17-5) is a chemical compound with molecular formula C10H12ClNO3 and molecular weight 229.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4,5-dimethylphenyl) N-(hydroxymethyl)carbamate
Also Known As: 2-Chloro-4,5-xylyl N-hydroxymethylcarbamate, (Hydroxymethyl)carbamic acid 6-chloro-3,4-xylyl ester, 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate, (2-chloro-4,5-dimethylphenyl) N-(hydroxymethyl)carbamate, CARBAMIC ACID, (HYDROXYMETHYL)-, 6-CHLORO-3,4-XYLYL ESTER
| Molecular Formula | C10H12ClNO3 |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.05057 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 10310-17-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)Cl)OC(=O)NCO |
| InChIKey | GVRRJRCKWLTTPL-UHFFFAOYSA-N |
Product Overview
2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate (CAS 10310-17-5), with molecular formula C10H12ClNO3 and molecular weight 229.05 g/mol. IUPAC: (2-chloro-4,5-dimethylphenyl) N-(hydroxymethyl)carbamate.
Chemical Property Profile of 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate
Property Insights of 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate. With a topological polar surface area (TPSA) of 58.6 Ų, 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate has 2 hydrogen bond donor(s) and 3 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 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate?
The CAS number of 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate is 10310-17-5.
What is the molecular formula of 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate?
The molecular formula of 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate is C10H12ClNO3.
What is the molecular weight of 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate?
The molecular weight of 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate is 229.05 g/mol.
Where can I buy 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate?
You can request a quote for 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4,5-dimethylphenyl (hydroxymethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.