BAS 00796092
TL;DR: BAS 00796092 (CAS 325729-89-3) is a chemical compound with molecular formula C27H22N2O3S2 and molecular weight 486.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzoylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate
Also Known As: BAS 00796092, ethyl 4-([1,1'-biphenyl]-4-yl)-2-(3-benzoylthioureido)thiophene-3-carboxylate, ethyl 2-(benzoylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate, ETHYL 2-{[(BENZOYLAMINO)CARBONOTHIOYL]AMINO}-4-BIPHENYL-4-YLTHIOPHENE-3-CARBOXYLATE, ethyl 4-(biphenyl-4-yl)-2-{[(phenylcarbonyl)carbamothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C27H22N2O3S2 |
|---|---|
| Molecular Weight | 486.11 g/mol |
| LogP | 6.3856 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.10718 |
| Heavy Atoms | 34 |
| Complexity | 1300.9817 |
Chemical Identifiers
| CAS Number | 325729-89-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4 |
Product Overview
BAS 00796092 (CAS 325729-89-3), with molecular formula C27H22N2O3S2 and molecular weight 486.11 g/mol. IUPAC: ethyl 2-(benzoylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of BAS 00796092
Property Insights of BAS 00796092
The XLogP value of 6.3856 indicates that BAS 00796092 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 00796092. Following Lipinski's Rule of Five, BAS 00796092 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00796092?
The CAS number of BAS 00796092 is 325729-89-3.
What is the molecular formula of BAS 00796092?
The molecular formula of BAS 00796092 is C27H22N2O3S2.
What is the molecular weight of BAS 00796092?
The molecular weight of BAS 00796092 is 486.11 g/mol.
Where can I buy BAS 00796092?
You can request a quote for BAS 00796092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00796092?
Yes, KEHONG BIO provides custom synthesis services for BAS 00796092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.