AB00685250-01
TL;DR: AB00685250-01 (CAS 477539-27-8) is a chemical compound with molecular formula C15H15BrN2O2S2 and molecular weight 397.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: AB00685250-01, F0816-0763, 2-(5-bromothiophene-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 5-bromo-N-{3-carbamoyl-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}thiophene-2-carboxamide, 2-[(5-bromothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C15H15BrN2O2S2 |
|---|---|
| Molecular Weight | 397.98 g/mol |
| LogP | 4.1922 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.97583 |
| Heavy Atoms | 22 |
| Complexity | 735.97815 |
Chemical Identifiers
| CAS Number | 477539-27-8 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC=C(S3)Br |
Product Overview
AB00685250-01 (CAS 477539-27-8), with molecular formula C15H15BrN2O2S2 and molecular weight 397.98 g/mol. IUPAC: 2-[(5-bromothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of AB00685250-01
Property Insights of AB00685250-01
The XLogP value of 4.1922 indicates that AB00685250-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685250-01. Following Lipinski's Rule of Five, AB00685250-01 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 AB00685250-01?
The CAS number of AB00685250-01 is 477539-27-8.
What is the molecular formula of AB00685250-01?
The molecular formula of AB00685250-01 is C15H15BrN2O2S2.
What is the molecular weight of AB00685250-01?
The molecular weight of AB00685250-01 is 397.98 g/mol.
Where can I buy AB00685250-01?
You can request a quote for AB00685250-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685250-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685250-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.