AB00680041-01
TL;DR: AB00680041-01 (CAS 898464-25-0) is a chemical compound with molecular formula C16H15ClN2O3S3 and molecular weight 413.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
Also Known As: AB00680041-01, F2610-4561, 5-chloro-N-[(2Z)-6-methanesulfonyl-3-propyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide, 5-chloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide, (Z)-5-chloro-N-(6-(methylsulfonyl)-3-propylbenzo[d]thiazol-2(3H)-ylidene)thiophene-2-carboxamide
| Molecular Formula | C16H15ClN2O3S3 |
|---|---|
| Molecular Weight | 413.99 g/mol |
| LogP | 3.9723 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.99335 |
| Heavy Atoms | 25 |
| Complexity | 1123.1523 |
Chemical Identifiers
| CAS Number | 898464-25-0 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(S3)Cl |
Product Overview
AB00680041-01 (CAS 898464-25-0), with molecular formula C16H15ClN2O3S3 and molecular weight 413.99 g/mol. IUPAC: 5-chloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
Chemical Property Profile of AB00680041-01
Property Insights of AB00680041-01
The XLogP value of 3.9723 indicates that AB00680041-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680041-01. Following Lipinski's Rule of Five, AB00680041-01 has 0 hydrogen bond donor(s) and 5 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 AB00680041-01?
The CAS number of AB00680041-01 is 898464-25-0.
What is the molecular formula of AB00680041-01?
The molecular formula of AB00680041-01 is C16H15ClN2O3S3.
What is the molecular weight of AB00680041-01?
The molecular weight of AB00680041-01 is 413.99 g/mol.
Where can I buy AB00680041-01?
You can request a quote for AB00680041-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680041-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680041-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.