N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide
TL;DR: N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide (CAS 488107-93-3) is a chemical compound with molecular formula C14H13ClN2O2S and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
Also Known As: N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide, AO-081/41128296, N'-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide, N-(3-chloro-2-methylphenyl)-N'-(thiophen-2-ylmethyl)ethanediamide, N1-(3-chloro-2-methylphenyl)-N2-(thiophen-2-ylmethyl)oxalamide
| Molecular Formula | C14H13ClN2O2S |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 2.96482 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.03864 |
| Heavy Atoms | 20 |
| Complexity | 626.1091 |
Chemical Identifiers
| CAS Number | 488107-93-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)C(=O)NCC2=CC=CS2 |
Product Overview
N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide (CAS 488107-93-3), with molecular formula C14H13ClN2O2S and molecular weight 308.04 g/mol. IUPAC: N'-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide.
Chemical Property Profile of N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide
Property Insights of N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide
The XLogP value of 2.96482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide. With a topological polar surface area (TPSA) of 58.2 Ų, N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide 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 N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide?
The CAS number of N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide is 488107-93-3.
What is the molecular formula of N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide?
The molecular formula of N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide is C14H13ClN2O2S.
What is the molecular weight of N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide?
The molecular weight of N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide is 308.04 g/mol.
Where can I buy N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide?
You can request a quote for N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide?
Yes, KEHONG BIO provides custom synthesis services for N~1~-(3-chloro-2-methylphenyl)-N~2~-(2-thienylmethyl)ethanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.