ChemDiv1_017091
TL;DR: ChemDiv1_017091 (CAS 434290-98-9) is a chemical compound with molecular formula C21H16FN3O2S and molecular weight 393.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-N-(4-fluorophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
Also Known As: ChemDiv1_017091, 3-amino-N-(4-fluorophenyl)-4-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-amino-N-(4-fluorophenyl)-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
| Molecular Formula | C21H16FN3O2S |
|---|---|
| Molecular Weight | 393.09 g/mol |
| LogP | 5.0186 |
| Topological Polar Surface Area | 81.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.09473 |
| Heavy Atoms | 28 |
| Complexity | 1197.0969 |
Chemical Identifiers
| CAS Number | 434290-98-9 |
|---|---|
| SMILES | C1CC2=C(C1)N=C3C(=C2C4=CC=CO4)C(=C(S3)C(=O)NC5=CC=C(C=C5)F)N |
Product Overview
ChemDiv1_017091 (CAS 434290-98-9), with molecular formula C21H16FN3O2S and molecular weight 393.09 g/mol. IUPAC: 6-amino-N-(4-fluorophenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide.
Chemical Property Profile of ChemDiv1_017091
Property Insights of ChemDiv1_017091
The XLogP value of 5.0186 indicates that ChemDiv1_017091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017091. Following Lipinski's Rule of Five, ChemDiv1_017091 has 2 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 ChemDiv1_017091?
The CAS number of ChemDiv1_017091 is 434290-98-9.
What is the molecular formula of ChemDiv1_017091?
The molecular formula of ChemDiv1_017091 is C21H16FN3O2S.
What is the molecular weight of ChemDiv1_017091?
The molecular weight of ChemDiv1_017091 is 393.09 g/mol.
Where can I buy ChemDiv1_017091?
You can request a quote for ChemDiv1_017091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017091?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.