F1391-0057
TL;DR: F1391-0057 (CAS 694461-27-3) is a chemical compound with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: F1391-0057, 2-{[3-CYANO-4-(4-METHOXYPHENYL)-5H,6H,7H-CYCLOPENTA[B]PYRIDIN-2-YL]SULFANYL}-N-(1,3-THIAZOL-2-YL)ACETAMIDE, 2-((3-cyano-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide, 2-[[3-cyano-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, N-(1,3-thiazol-2-yl)[6-cyano-7-(p-methoxyphenyl)-4-aza-5-indanylthio]acetamide
| Molecular Formula | C21H18N4O2S2 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.30488 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.08713 |
| Heavy Atoms | 29 |
| Complexity | 1073.5508 |
Chemical Identifiers
| CAS Number | 694461-27-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCC3)SCC(=O)NC4=NC=CS4)C#N |
Product Overview
F1391-0057 (CAS 694461-27-3), with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol. IUPAC: 2-[[3-cyano-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of F1391-0057
Property Insights of F1391-0057
The XLogP value of 4.30488 indicates that F1391-0057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for F1391-0057. Following Lipinski's Rule of Five, F1391-0057 has 1 hydrogen bond donor(s) and 7 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 F1391-0057?
The CAS number of F1391-0057 is 694461-27-3.
What is the molecular formula of F1391-0057?
The molecular formula of F1391-0057 is C21H18N4O2S2.
What is the molecular weight of F1391-0057?
The molecular weight of F1391-0057 is 422.09 g/mol.
Where can I buy F1391-0057?
You can request a quote for F1391-0057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1391-0057?
Yes, KEHONG BIO provides custom synthesis services for F1391-0057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.