A2552/0108646
TL;DR: A2552/0108646 (CAS 126342-53-8) is a chemical compound with molecular formula C27H29NO4 and molecular weight 431.21 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-(3-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: A2552/0108646, methyl 4-[3-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 2,7,7-trimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate, methyl 2,7,7-trimethyl-5-oxo-4-[3-(phenylmethoxy)phenyl]-1,4,6,7,8-pentahydroq uinoline-3-carboxylate, methyl 4-(3-(benzyloxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C27H29NO4 |
|---|---|
| Molecular Weight | 431.21 g/mol |
| LogP | 5.0426 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.20966 |
| Heavy Atoms | 32 |
| Complexity | 1111.4861 |
Chemical Identifiers
| CAS Number | 126342-53-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OC |
Product Overview
A2552/0108646 (CAS 126342-53-8), with molecular formula C27H29NO4 and molecular weight 431.21 g/mol. IUPAC: methyl 2,7,7-trimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of A2552/0108646
Property Insights of A2552/0108646
The XLogP value of 5.0426 indicates that A2552/0108646 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A2552/0108646. Following Lipinski's Rule of Five, A2552/0108646 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 A2552/0108646?
The CAS number of A2552/0108646 is 126342-53-8.
What is the molecular formula of A2552/0108646?
The molecular formula of A2552/0108646 is C27H29NO4.
What is the molecular weight of A2552/0108646?
The molecular weight of A2552/0108646 is 431.21 g/mol.
Where can I buy A2552/0108646?
You can request a quote for A2552/0108646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2552/0108646?
Yes, KEHONG BIO provides custom synthesis services for A2552/0108646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.