AB00685249-01
TL;DR: AB00685249-01 (CAS 477539-26-7) is a chemical compound with molecular formula C18H17N3O2S2 and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-benzothiazole-2-carboxamide
Also Known As: AB00685249-01, F0816-0762, N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzo[d]thiazole-2-carboxamide, N-{3-carbamoyl-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-1,3-benzothiazole-2-carboxamide, N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-benzothiazole-2-carboxamide
| Molecular Formula | C18H17N3O2S2 |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 3.9779 |
| Topological Polar Surface Area | 85.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.07623 |
| Heavy Atoms | 25 |
| Complexity | 941.0203 |
Chemical Identifiers
| CAS Number | 477539-26-7 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=NC4=CC=CC=C4S3 |
Product Overview
AB00685249-01 (CAS 477539-26-7), with molecular formula C18H17N3O2S2 and molecular weight 371.08 g/mol. IUPAC: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-benzothiazole-2-carboxamide.
Chemical Property Profile of AB00685249-01
Property Insights of AB00685249-01
The XLogP value of 3.9779 indicates that AB00685249-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685249-01. Following Lipinski's Rule of Five, AB00685249-01 has 2 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 AB00685249-01?
The CAS number of AB00685249-01 is 477539-26-7.
What is the molecular formula of AB00685249-01?
The molecular formula of AB00685249-01 is C18H17N3O2S2.
What is the molecular weight of AB00685249-01?
The molecular weight of AB00685249-01 is 371.08 g/mol.
Where can I buy AB00685249-01?
You can request a quote for AB00685249-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685249-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685249-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.