ChemDiv1_016906
TL;DR: ChemDiv1_016906 (CAS 434296-67-0) is a chemical compound with molecular formula C19H20N2O2S2 and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate
Also Known As: ChemDiv1_016906, ethyl 3-amino-4-(thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
| Molecular Formula | C19H20N2O2S2 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 5.0526 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.09662 |
| Heavy Atoms | 25 |
| Complexity | 928.9469 |
Chemical Identifiers
| CAS Number | 434296-67-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(C3=C(CCCCC3)N=C2S1)C4=CC=CS4)N |
Product Overview
ChemDiv1_016906 (CAS 434296-67-0), with molecular formula C19H20N2O2S2 and molecular weight 372.10 g/mol. IUPAC: ethyl 6-amino-8-thiophen-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_016906
Property Insights of ChemDiv1_016906
The XLogP value of 5.0526 indicates that ChemDiv1_016906 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016906. Following Lipinski's Rule of Five, ChemDiv1_016906 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_016906?
The CAS number of ChemDiv1_016906 is 434296-67-0.
What is the molecular formula of ChemDiv1_016906?
The molecular formula of ChemDiv1_016906 is C19H20N2O2S2.
What is the molecular weight of ChemDiv1_016906?
The molecular weight of ChemDiv1_016906 is 372.10 g/mol.
Where can I buy ChemDiv1_016906?
You can request a quote for ChemDiv1_016906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016906?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.