ChemDiv1_022292
TL;DR: ChemDiv1_022292 (CAS 313350-71-9) is a chemical compound with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(benzoylcarbamothioylamino)spiro[4H-naphthalene-3,1'-cyclopentane]-2-carboxylate
Also Known As: ChemDiv1_022292, BAS 00690875, ethyl 1'-{[(benzoylamino)carbothioyl]amino}-3',4'-dihydrospiro(cyclopentane-1,3'-naphthalene)-2'-carboxylate, A0517/0023912, ethyl 1-(benzoylcarbamothioylamino)spiro[4H-naphthalene-3,1'-cyclopentane]-2-carboxylate
| Molecular Formula | C25H26N2O3S |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 4.3818 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.1664 |
| Heavy Atoms | 31 |
| Complexity | 1039.7424 |
Chemical Identifiers
| CAS Number | 313350-71-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2CC13CCCC3)NC(=S)NC(=O)C4=CC=CC=C4 |
Product Overview
ChemDiv1_022292 (CAS 313350-71-9), with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol. IUPAC: ethyl 1-(benzoylcarbamothioylamino)spiro[4H-naphthalene-3,1'-cyclopentane]-2-carboxylate.
Chemical Property Profile of ChemDiv1_022292
Property Insights of ChemDiv1_022292
The XLogP value of 4.3818 indicates that ChemDiv1_022292 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022292. Following Lipinski's Rule of Five, ChemDiv1_022292 has 2 hydrogen bond donor(s) and 4 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_022292?
The CAS number of ChemDiv1_022292 is 313350-71-9.
What is the molecular formula of ChemDiv1_022292?
The molecular formula of ChemDiv1_022292 is C25H26N2O3S.
What is the molecular weight of ChemDiv1_022292?
The molecular weight of ChemDiv1_022292 is 434.17 g/mol.
Where can I buy ChemDiv1_022292?
You can request a quote for ChemDiv1_022292 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022292?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022292 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.