AB00675624-01
TL;DR: AB00675624-01 (CAS 879909-97-4) is a chemical compound with molecular formula C19H15ClFN3O2S and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AB00675624-01, 2-[(2E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, F1673-5170, (E)-2-(3-(2-chloro-6-fluorophenyl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[[(E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H15ClFN3O2S |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 4.06398 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.05576 |
| Heavy Atoms | 27 |
| Complexity | 986.8642 |
Chemical Identifiers
| CAS Number | 879909-97-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=C(C=CC=C3Cl)F)/C#N)C(=O)N |
Product Overview
AB00675624-01 (CAS 879909-97-4), with molecular formula C19H15ClFN3O2S and molecular weight 403.06 g/mol. IUPAC: 2-[[(E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AB00675624-01
Property Insights of AB00675624-01
The XLogP value of 4.06398 indicates that AB00675624-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675624-01. Following Lipinski's Rule of Five, AB00675624-01 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 AB00675624-01?
The CAS number of AB00675624-01 is 879909-97-4.
What is the molecular formula of AB00675624-01?
The molecular formula of AB00675624-01 is C19H15ClFN3O2S.
What is the molecular weight of AB00675624-01?
The molecular weight of AB00675624-01 is 403.06 g/mol.
Where can I buy AB00675624-01?
You can request a quote for AB00675624-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675624-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675624-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.