Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester
TL;DR: Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester (CAS 28685-39-4) is a chemical compound with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate
Also Known As: Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester, 2-chloro-4-(dimethylamino)-3,5-dimethylphenyl methylcarbamate, [2-chloro-4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate, (2-chloro-4-dimethylamino-3,5-dimethyl-phenyl) N-methylcarbamate, Carbamicacid,methyl-,2-chloro-4-(dimethylamino)-3,5-xylyl ester (8CI)
| Molecular Formula | C12H17ClN2O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.09787 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 28685-39-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1N(C)C)C)Cl)OC(=O)NC |
| InChIKey | IJGSNIANMOHXAF-UHFFFAOYSA-N |
Product Overview
Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester (CAS 28685-39-4), with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol. IUPAC: [2-chloro-4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester
Property Insights of Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester
The XLogP value of 3.0 indicates that Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester has 1 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 Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester?
The CAS number of Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester is 28685-39-4.
What is the molecular formula of Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester?
The molecular formula of Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester is C12H17ClN2O2.
What is the molecular weight of Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester?
The molecular weight of Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester is 256.10 g/mol.
Where can I buy Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester?
You can request a quote for Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, 2-chloro-4-(dimethylamino)-3,5-xylyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.