Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester)
TL;DR: Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester) (CAS 17795-78-7) is a chemical compound with molecular formula C13H17ClN2O3 and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chloropentanoylamino)phenyl] N-methylcarbamate
Also Known As: m-(2-Chlorovaleramido)phenyl methylcarbamate, Valeranilide, methylcarbamate, 2-Chloro-3'-(methylcarbamoyloxy)valeranilide, [3-(2-chloropentanoylamino)phenyl] N-methylcarbamate, Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester)
| Molecular Formula | C13H17ClN2O3 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.09277 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 17795-78-7 |
|---|---|
| SMILES | CCCC(C(=O)NC1=CC(=CC=C1)OC(=O)NC)Cl |
| InChIKey | NQBGKYBWYMRQHD-UHFFFAOYSA-N |
Product Overview
Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester) (CAS 17795-78-7), with molecular formula C13H17ClN2O3 and molecular weight 284.09 g/mol. IUPAC: [3-(2-chloropentanoylamino)phenyl] N-methylcarbamate.
Chemical Property Profile of Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester)
Property Insights of Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester). The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester). Following Lipinski's Rule of Five, Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester) 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 Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester)?
The CAS number of Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester) is 17795-78-7.
What is the molecular formula of Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester)?
The molecular formula of Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester) is C13H17ClN2O3.
What is the molecular weight of Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester)?
The molecular weight of Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester) is 284.09 g/mol.
Where can I buy Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester)?
You can request a quote for Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.