AB00673964-01
TL;DR: AB00673964-01 (CAS 864938-96-5) is a chemical compound with molecular formula C27H20N4OS3 and molecular weight 512.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzothiazol-2-yl)-N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)thiophene-2-carboxamide
Also Known As: AB00673964-01, F1301-0393, 5-(benzo[d]thiazol-2-yl)-N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)thiophene-2-carboxamide, 5-(1,3-benzothiazol-2-yl)-N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)thiophene-2-carboxamide, 5-(1,3-benzothiazol-2-yl)-N-{6-benzyl-3-cyano-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}thiophene-2-carboxamide
| Molecular Formula | C27H20N4OS3 |
|---|---|
| Molecular Weight | 512.08 g/mol |
| LogP | 6.76858 |
| Topological Polar Surface Area | 69.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.0799 |
| Heavy Atoms | 35 |
| Complexity | 1542.0148 |
Chemical Identifiers
| CAS Number | 864938-96-5 |
|---|---|
| SMILES | C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4)C#N)CC6=CC=CC=C6 |
Product Overview
AB00673964-01 (CAS 864938-96-5), with molecular formula C27H20N4OS3 and molecular weight 512.08 g/mol. IUPAC: 5-(1,3-benzothiazol-2-yl)-N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)thiophene-2-carboxamide.
Chemical Property Profile of AB00673964-01
Property Insights of AB00673964-01
The XLogP value of 6.76858 indicates that AB00673964-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00673964-01. Following Lipinski's Rule of Five, AB00673964-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00673964-01?
The CAS number of AB00673964-01 is 864938-96-5.
What is the molecular formula of AB00673964-01?
The molecular formula of AB00673964-01 is C27H20N4OS3.
What is the molecular weight of AB00673964-01?
The molecular weight of AB00673964-01 is 512.08 g/mol.
Where can I buy AB00673964-01?
You can request a quote for AB00673964-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673964-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673964-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.