BAS 00381563
TL;DR: BAS 00381563 (CAS 299407-87-7) is a chemical compound with molecular formula C24H28ClNO3 and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00381563, cyclopentyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, cyclopentyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquino line-3-carboxylate, cyclopentyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C24H28ClNO3 |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 5.4298 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.17578 |
| Heavy Atoms | 29 |
| Complexity | 904.5584 |
Chemical Identifiers
| CAS Number | 299407-87-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Cl)C(=O)OC4CCCC4 |
Product Overview
BAS 00381563 (CAS 299407-87-7), with molecular formula C24H28ClNO3 and molecular weight 413.18 g/mol. IUPAC: cyclopentyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00381563
Property Insights of BAS 00381563
The XLogP value of 5.4298 indicates that BAS 00381563 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 00381563 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00381563 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00381563?
The CAS number of BAS 00381563 is 299407-87-7.
What is the molecular formula of BAS 00381563?
The molecular formula of BAS 00381563 is C24H28ClNO3.
What is the molecular weight of BAS 00381563?
The molecular weight of BAS 00381563 is 413.18 g/mol.
Where can I buy BAS 00381563?
You can request a quote for BAS 00381563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381563?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.