A3047/0128632
TL;DR: A3047/0128632 (CAS 681835-44-9) is a chemical compound with molecular formula C17H17ClN2O3S and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Also Known As: A3047/0128632, 2-acetamido-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide, 2-(acetylamino)-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
| Molecular Formula | C17H17ClN2O3S |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 4.1095 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.06485 |
| Heavy Atoms | 24 |
| Complexity | 816.4072 |
Chemical Identifiers
| CAS Number | 681835-44-9 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=C(S1)CCC2)C(=O)NC3=CC(=C(C=C3)OC)Cl |
Product Overview
A3047/0128632 (CAS 681835-44-9), with molecular formula C17H17ClN2O3S and molecular weight 364.06 g/mol. IUPAC: 2-acetamido-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
Chemical Property Profile of A3047/0128632
Property Insights of A3047/0128632
The XLogP value of 4.1095 indicates that A3047/0128632 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for A3047/0128632. Following Lipinski's Rule of Five, A3047/0128632 has 2 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 A3047/0128632?
The CAS number of A3047/0128632 is 681835-44-9.
What is the molecular formula of A3047/0128632?
The molecular formula of A3047/0128632 is C17H17ClN2O3S.
What is the molecular weight of A3047/0128632?
The molecular weight of A3047/0128632 is 364.06 g/mol.
Where can I buy A3047/0128632?
You can request a quote for A3047/0128632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3047/0128632?
Yes, KEHONG BIO provides custom synthesis services for A3047/0128632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.