BAS 01251495
TL;DR: BAS 01251495 (CAS 330208-61-2) is a chemical compound with molecular formula C18H21NO3S and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 01251495, AH-211/11112011, methyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 2,7,7-trimethyl-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 2,7,7-trimethyl-5-oxo-4-(3-thienyl)-1,4,6,7,8-pentahydroquinoline-3-car boxylate
| Molecular Formula | C18H21NO3S |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 3.5251 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.1242 |
| Heavy Atoms | 23 |
| Complexity | 725.45764 |
Chemical Identifiers
| CAS Number | 330208-61-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OC |
Product Overview
BAS 01251495 (CAS 330208-61-2), with molecular formula C18H21NO3S and molecular weight 331.12 g/mol. IUPAC: methyl 2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 01251495
Property Insights of BAS 01251495
The XLogP value of 3.5251 indicates that BAS 01251495 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 01251495 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01251495 has 1 hydrogen bond donor(s) and 5 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 01251495?
The CAS number of BAS 01251495 is 330208-61-2.
What is the molecular formula of BAS 01251495?
The molecular formula of BAS 01251495 is C18H21NO3S.
What is the molecular weight of BAS 01251495?
The molecular weight of BAS 01251495 is 331.12 g/mol.
Where can I buy BAS 01251495?
You can request a quote for BAS 01251495 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01251495?
Yes, KEHONG BIO provides custom synthesis services for BAS 01251495 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.