A2551/0108633
TL;DR: A2551/0108633 (CAS 347313-82-0) is a chemical compound with molecular formula C27H35NO6 and molecular weight 469.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 4-(4-acetyloxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: A2551/0108633, butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, butan-2-yl 4-(4-acetyloxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, 2-ethoxy-4-{2,7,7-trimethyl-3-[(methylpropyl)oxycarbonyl]-5-oxo(4-1,4,6,7,8-pe ntahydroquinolyl)}phenyl acetate, sec-butyl 4-(4-acetoxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C27H35NO6 |
|---|---|
| Molecular Weight | 469.25 g/mol |
| LogP | 4.9563 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.24643 |
| Heavy Atoms | 34 |
| Complexity | 1064.8787 |
Chemical Identifiers
| CAS Number | 347313-82-0 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC(=O)C)OCC)C(=O)CC(C2)(C)C)C |
Product Overview
A2551/0108633 (CAS 347313-82-0), with molecular formula C27H35NO6 and molecular weight 469.25 g/mol. IUPAC: butan-2-yl 4-(4-acetyloxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of A2551/0108633
Property Insights of A2551/0108633
The XLogP value of 4.9563 indicates that A2551/0108633 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for A2551/0108633. Following Lipinski's Rule of Five, A2551/0108633 has 1 hydrogen bond donor(s) and 7 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 A2551/0108633?
The CAS number of A2551/0108633 is 347313-82-0.
What is the molecular formula of A2551/0108633?
The molecular formula of A2551/0108633 is C27H35NO6.
What is the molecular weight of A2551/0108633?
The molecular weight of A2551/0108633 is 469.25 g/mol.
Where can I buy A2551/0108633?
You can request a quote for A2551/0108633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2551/0108633?
Yes, KEHONG BIO provides custom synthesis services for A2551/0108633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.