AB00673789-01
TL;DR: AB00673789-01 (CAS 864859-39-2) is a chemical compound with molecular formula C23H18BrN3O2S2 and molecular weight 511.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-bromobenzamide
Also Known As: AB00673789-01, F1298-0947, N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3-bromobenzamide, N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-bromobenzamide, N-(4-acetyl-9-benzothiazol-2-yl-7-thia-4-azabicyclo[4.3.0]nona-8,10-dien-8-yl)-3-bromo-benzamide
| Molecular Formula | C23H18BrN3O2S2 |
|---|---|
| Molecular Weight | 511.00 g/mol |
| LogP | 5.9442 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 511.00238 |
| Heavy Atoms | 31 |
| Complexity | 1294.6128 |
Chemical Identifiers
| CAS Number | 864859-39-2 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC(=CC=C5)Br |
Product Overview
AB00673789-01 (CAS 864859-39-2), with molecular formula C23H18BrN3O2S2 and molecular weight 511.00 g/mol. IUPAC: N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-bromobenzamide.
Chemical Property Profile of AB00673789-01
Property Insights of AB00673789-01
The XLogP value of 5.9442 indicates that AB00673789-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00673789-01. Following Lipinski's Rule of Five, AB00673789-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00673789-01?
The CAS number of AB00673789-01 is 864859-39-2.
What is the molecular formula of AB00673789-01?
The molecular formula of AB00673789-01 is C23H18BrN3O2S2.
What is the molecular weight of AB00673789-01?
The molecular weight of AB00673789-01 is 511.00 g/mol.
Where can I buy AB00673789-01?
You can request a quote for AB00673789-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673789-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673789-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.