BAS 00410617
TL;DR: BAS 00410617 (CAS 299451-31-3) is a chemical compound with molecular formula C26H26ClNO3 and molecular weight 435.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00410617, BIM-0020809.P001, benzyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, phenylmethyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C26H26ClNO3 |
|---|---|
| Molecular Weight | 435.16 g/mol |
| LogP | 5.6874 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.16013 |
| Heavy Atoms | 31 |
| Complexity | 1098.645 |
Chemical Identifiers
| CAS Number | 299451-31-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4 |
Product Overview
BAS 00410617 (CAS 299451-31-3), with molecular formula C26H26ClNO3 and molecular weight 435.16 g/mol. IUPAC: benzyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00410617
Property Insights of BAS 00410617
The XLogP value of 5.6874 indicates that BAS 00410617 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 00410617 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00410617 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 00410617?
The CAS number of BAS 00410617 is 299451-31-3.
What is the molecular formula of BAS 00410617?
The molecular formula of BAS 00410617 is C26H26ClNO3.
What is the molecular weight of BAS 00410617?
The molecular weight of BAS 00410617 is 435.16 g/mol.
Where can I buy BAS 00410617?
You can request a quote for BAS 00410617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410617?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.