C12H14ClNO3S
TL;DR: C12H14ClNO3S (CAS 203385-15-3) is a chemical compound with molecular formula C12H14ClNO3S and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: 2-(2-Chloro-acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester, 6870AD, BAS 00572139, ethyl 2-[(chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-(2-chloroacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C12H14ClNO3S |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 2.5908 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.0383 |
| Heavy Atoms | 18 |
| Complexity | 483.91223 |
Chemical Identifiers
| CAS Number | 203385-15-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CCl |
Product Overview
C12H14ClNO3S (CAS 203385-15-3), with molecular formula C12H14ClNO3S and molecular weight 287.04 g/mol. IUPAC: ethyl 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of C12H14ClNO3S
Property Insights of C12H14ClNO3S
The XLogP value of 2.5908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H14ClNO3S. With a topological polar surface area (TPSA) of 55.4 Ų, C12H14ClNO3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C12H14ClNO3S has 1 hydrogen bond donor(s) and 4 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 C12H14ClNO3S?
The CAS number of C12H14ClNO3S is 203385-15-3.
What is the molecular formula of C12H14ClNO3S?
The molecular formula of C12H14ClNO3S is C12H14ClNO3S.
What is the molecular weight of C12H14ClNO3S?
The molecular weight of C12H14ClNO3S is 287.04 g/mol.
Where can I buy C12H14ClNO3S?
You can request a quote for C12H14ClNO3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H14ClNO3S?
Yes, KEHONG BIO provides custom synthesis services for C12H14ClNO3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.