BAS 00410900
TL;DR: BAS 00410900 (CAS 299946-95-5) is a chemical compound with molecular formula C24H30ClNO3 and molecular weight 415.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00410900, BIM-0020818.P001, pentyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, pentyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, pentyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline- 3-carboxylate
| Molecular Formula | C24H30ClNO3 |
|---|---|
| Molecular Weight | 415.19 g/mol |
| LogP | 5.6774 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.1914 |
| Heavy Atoms | 29 |
| Complexity | 881.8669 |
Chemical Identifiers
| CAS Number | 299946-95-5 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Cl)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00410900 (CAS 299946-95-5), with molecular formula C24H30ClNO3 and molecular weight 415.19 g/mol. IUPAC: pentyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00410900
Property Insights of BAS 00410900
The XLogP value of 5.6774 indicates that BAS 00410900 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 00410900 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00410900 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 00410900?
The CAS number of BAS 00410900 is 299946-95-5.
What is the molecular formula of BAS 00410900?
The molecular formula of BAS 00410900 is C24H30ClNO3.
What is the molecular weight of BAS 00410900?
The molecular weight of BAS 00410900 is 415.19 g/mol.
Where can I buy BAS 00410900?
You can request a quote for BAS 00410900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410900?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.