ChemDiv1_021635
TL;DR: ChemDiv1_021635 (CAS 332167-99-4) is a chemical compound with molecular formula C25H28N2O3S and molecular weight 436.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(benzoylcarbamothioylamino)-3,3-diethyl-4H-naphthalene-2-carboxylate
Also Known As: ChemDiv1_021635, BAS 01217193, ethyl 1-(3-benzoylthioureido)-3,3-diethyl-3,4-dihydronaphthalene-2-carboxylate, ethyl 1-(benzoylcarbamothioylamino)-3,3-diethyl-4H-naphthalene-2-carboxylate, ethyl 3,3-diethyl-1-{[(phenylcarbonyl)carbamothioyl]amino}-3,4-dihydronaphthalene-2-carboxylate
| Molecular Formula | C25H28N2O3S |
|---|---|
| Molecular Weight | 436.18 g/mol |
| LogP | 4.6278 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.18207 |
| Heavy Atoms | 31 |
| Complexity | 1010.437 |
Chemical Identifiers
| CAS Number | 332167-99-4 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C(=C1C(=O)OCC)NC(=S)NC(=O)C3=CC=CC=C3)CC |
Product Overview
ChemDiv1_021635 (CAS 332167-99-4), with molecular formula C25H28N2O3S and molecular weight 436.18 g/mol. IUPAC: ethyl 1-(benzoylcarbamothioylamino)-3,3-diethyl-4H-naphthalene-2-carboxylate.
Chemical Property Profile of ChemDiv1_021635
Property Insights of ChemDiv1_021635
The XLogP value of 4.6278 indicates that ChemDiv1_021635 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_021635. Following Lipinski's Rule of Five, ChemDiv1_021635 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_021635?
The CAS number of ChemDiv1_021635 is 332167-99-4.
What is the molecular formula of ChemDiv1_021635?
The molecular formula of ChemDiv1_021635 is C25H28N2O3S.
What is the molecular weight of ChemDiv1_021635?
The molecular weight of ChemDiv1_021635 is 436.18 g/mol.
Where can I buy ChemDiv1_021635?
You can request a quote for ChemDiv1_021635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021635?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.