1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate
TL;DR: 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate (CAS 712-91-4) is a chemical compound with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)propan-2-yl carbamate
Also Known As: 1-(2-chlorophenyl)propan-2-yl carbamate, CARBAMIC ACID, o-CHLORO-alpha-METHYLPHENETHYL ESTER, 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate, Carbamic acid o-chloro-alpha-methylphenethyl ester, Carbamic acid, o-chloro-.alpha.-methylphenethyl ester
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 712-91-4 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1Cl)OC(=O)N |
| InChIKey | JHZISMYMEAAHJP-UHFFFAOYSA-N |
Product Overview
1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate (CAS 712-91-4), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: 1-(2-chlorophenyl)propan-2-yl carbamate.
Chemical Property Profile of 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate
Property Insights of 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate. With a topological polar surface area (TPSA) of 52.3 Ų, 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate has 1 hydrogen bond donor(s) and 2 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-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate?
The CAS number of 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate is 712-91-4.
What is the molecular formula of 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate?
The molecular formula of 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate is C10H12ClNO2.
What is the molecular weight of 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate?
The molecular weight of 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate is 213.06 g/mol.
Where can I buy 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate?
You can request a quote for 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.