BAS 01251231
TL;DR: BAS 01251231 (CAS 306749-72-4) is a chemical compound with molecular formula C27H29NO3S and molecular weight 447.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01251231, 2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylthioethyl 2-methyl-5-oxo-4,7-diphenyl-1,4,6,7,8-pentahydroquinoline-3-c arboxylate, 2-(ethylthio)ethyl 2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C27H29NO3S |
|---|---|
| Molecular Weight | 447.19 g/mol |
| LogP | 5.3445 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.18683 |
| Heavy Atoms | 32 |
| Complexity | 1043.0858 |
Chemical Identifiers
| CAS Number | 306749-72-4 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)CC(C2)C4=CC=CC=C4)C |
Product Overview
BAS 01251231 (CAS 306749-72-4), with molecular formula C27H29NO3S and molecular weight 447.19 g/mol. IUPAC: 2-ethylsulfanylethyl 2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01251231
Property Insights of BAS 01251231
The XLogP value of 5.3445 indicates that BAS 01251231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 01251231 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01251231 has 1 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 01251231?
The CAS number of BAS 01251231 is 306749-72-4.
What is the molecular formula of BAS 01251231?
The molecular formula of BAS 01251231 is C27H29NO3S.
What is the molecular weight of BAS 01251231?
The molecular weight of BAS 01251231 is 447.19 g/mol.
Where can I buy BAS 01251231?
You can request a quote for BAS 01251231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01251231?
Yes, KEHONG BIO provides custom synthesis services for BAS 01251231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.