ChemDiv1_017168
TL;DR: ChemDiv1_017168 (CAS 434296-08-9) is a chemical compound with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate
Also Known As: ChemDiv1_017168, propyl 3-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
| Molecular Formula | C20H22N2O3S |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 4.9742 |
| Topological Polar Surface Area | 78.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.1351 |
| Heavy Atoms | 26 |
| Complexity | 944.02136 |
Chemical Identifiers
| CAS Number | 434296-08-9 |
|---|---|
| SMILES | CCCOC(=O)C1=C(C2=C(C3=C(CCCCC3)N=C2S1)C4=CC=CO4)N |
Product Overview
ChemDiv1_017168 (CAS 434296-08-9), with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol. IUPAC: propyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate.
Chemical Property Profile of ChemDiv1_017168
Property Insights of ChemDiv1_017168
The XLogP value of 4.9742 indicates that ChemDiv1_017168 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017168. Following Lipinski's Rule of Five, ChemDiv1_017168 has 1 hydrogen bond donor(s) and 6 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_017168?
The CAS number of ChemDiv1_017168 is 434296-08-9.
What is the molecular formula of ChemDiv1_017168?
The molecular formula of ChemDiv1_017168 is C20H22N2O3S.
What is the molecular weight of ChemDiv1_017168?
The molecular weight of ChemDiv1_017168 is 370.14 g/mol.
Where can I buy ChemDiv1_017168?
You can request a quote for ChemDiv1_017168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017168?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.