AB00685939-01
TL;DR: AB00685939-01 (CAS 865176-13-2) is a chemical compound with molecular formula C15H12N4O5S3 and molecular weight 424.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
Also Known As: AB00685939-01, (Z)-N-(3-allyl-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)-5-nitrothiophene-2-carboxamide, F1365-1223, 5-nitro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide, 5-nitro-N-[(2Z)-3-(prop-2-en-1-yl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
| Molecular Formula | C15H12N4O5S3 |
|---|---|
| Molecular Weight | 424.00 g/mol |
| LogP | 2.247 |
| Topological Polar Surface Area | 137.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.99698 |
| Heavy Atoms | 27 |
| Complexity | 1249.9601 |
Chemical Identifiers
| CAS Number | 865176-13-2 |
|---|---|
| SMILES | C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
AB00685939-01 (CAS 865176-13-2), with molecular formula C15H12N4O5S3 and molecular weight 424.00 g/mol. IUPAC: 5-nitro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
Chemical Property Profile of AB00685939-01
Property Insights of AB00685939-01
The XLogP value of 2.247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685939-01. The TPSA of 137.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685939-01. Following Lipinski's Rule of Five, AB00685939-01 has 1 hydrogen bond donor(s) and 7 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 AB00685939-01?
The CAS number of AB00685939-01 is 865176-13-2.
What is the molecular formula of AB00685939-01?
The molecular formula of AB00685939-01 is C15H12N4O5S3.
What is the molecular weight of AB00685939-01?
The molecular weight of AB00685939-01 is 424.00 g/mol.
Where can I buy AB00685939-01?
You can request a quote for AB00685939-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685939-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685939-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.