BAS 00691002
TL;DR: BAS 00691002 (CAS 330181-06-1) is a chemical compound with molecular formula C24H26N2O3S and molecular weight 422.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(benzoylcarbamothioylamino)-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate
Also Known As: BAS 00691002, ethyl 1-(3-benzoylthioureido)-3-isopropyl-3,4-dihydronaphthalene-2-carboxylate, 1-(3-Benzoyl-thioureido)-3-isopropyl-3,4-dihydro-naphthalene-2-carboxylic acid ethyl ester, ethyl 1-(benzoylcarbamothioylamino)-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate, ethyl 1-{[(phenylcarbonyl)carbamothioyl]amino}-3-(propan-2-yl)-3,4-dihydronaphthalene-2-carboxylate
| Molecular Formula | C24H26N2O3S |
|---|---|
| Molecular Weight | 422.17 g/mol |
| LogP | 4.0936 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1664 |
| Heavy Atoms | 30 |
| Complexity | 982.9554 |
Chemical Identifiers
| CAS Number | 330181-06-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2CC1C(C)C)NC(=S)NC(=O)C3=CC=CC=C3 |
Product Overview
BAS 00691002 (CAS 330181-06-1), with molecular formula C24H26N2O3S and molecular weight 422.17 g/mol. IUPAC: ethyl 1-(benzoylcarbamothioylamino)-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate.
Chemical Property Profile of BAS 00691002
Property Insights of BAS 00691002
The XLogP value of 4.0936 indicates that BAS 00691002 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 BAS 00691002. Following Lipinski's Rule of Five, BAS 00691002 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 BAS 00691002?
The CAS number of BAS 00691002 is 330181-06-1.
What is the molecular formula of BAS 00691002?
The molecular formula of BAS 00691002 is C24H26N2O3S.
What is the molecular weight of BAS 00691002?
The molecular weight of BAS 00691002 is 422.17 g/mol.
Where can I buy BAS 00691002?
You can request a quote for BAS 00691002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00691002?
Yes, KEHONG BIO provides custom synthesis services for BAS 00691002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.