ChemDiv1_017030
TL;DR: ChemDiv1_017030 (CAS 434291-67-5) is a chemical compound with molecular formula C21H16N4O4S and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(furan-2-yl)-N-(4-nitrophenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
Also Known As: ChemDiv1_017030, 3-amino-4-(furan-2-yl)-N-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-amino-4-(2-furyl)-N-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
| Molecular Formula | C21H16N4O4S |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 4.7877 |
| Topological Polar Surface Area | 124.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.08923 |
| Heavy Atoms | 30 |
| Complexity | 1293.2926 |
Chemical Identifiers
| CAS Number | 434291-67-5 |
|---|---|
| SMILES | C1CC2=C(C1)N=C3C(=C2C4=CC=CO4)C(=C(S3)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-])N |
Product Overview
ChemDiv1_017030 (CAS 434291-67-5), with molecular formula C21H16N4O4S and molecular weight 420.09 g/mol. IUPAC: 6-amino-8-(furan-2-yl)-N-(4-nitrophenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide.
Chemical Property Profile of ChemDiv1_017030
Property Insights of ChemDiv1_017030
The XLogP value of 4.7877 indicates that ChemDiv1_017030 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017030. Following Lipinski's Rule of Five, ChemDiv1_017030 has 2 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 ChemDiv1_017030?
The CAS number of ChemDiv1_017030 is 434291-67-5.
What is the molecular formula of ChemDiv1_017030?
The molecular formula of ChemDiv1_017030 is C21H16N4O4S.
What is the molecular weight of ChemDiv1_017030?
The molecular weight of ChemDiv1_017030 is 420.09 g/mol.
Where can I buy ChemDiv1_017030?
You can request a quote for ChemDiv1_017030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017030?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.