A2536/0107884
TL;DR: A2536/0107884 (CAS 347320-85-8) is a chemical compound with molecular formula C28H29NO5 and molecular weight 459.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: A2536/0107884, benzyl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 4-{2,7,7-trimethyl-5-oxo-3-[benzyloxycarbonyl]-4-1,4,6,7,8-pentahydroquinolyl} phenyl acetate, benzyl 4-(4-acetoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C28H29NO5 |
|---|---|
| Molecular Weight | 459.20 g/mol |
| LogP | 4.9593 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.20456 |
| Heavy Atoms | 34 |
| Complexity | 1189.0621 |
Chemical Identifiers
| CAS Number | 347320-85-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC(=O)C)C(=O)OCC4=CC=CC=C4 |
Product Overview
A2536/0107884 (CAS 347320-85-8), with molecular formula C28H29NO5 and molecular weight 459.20 g/mol. IUPAC: benzyl 4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of A2536/0107884
Property Insights of A2536/0107884
The XLogP value of 4.9593 indicates that A2536/0107884 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A2536/0107884. Following Lipinski's Rule of Five, A2536/0107884 has 1 hydrogen bond donor(s) and 6 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 A2536/0107884?
The CAS number of A2536/0107884 is 347320-85-8.
What is the molecular formula of A2536/0107884?
The molecular formula of A2536/0107884 is C28H29NO5.
What is the molecular weight of A2536/0107884?
The molecular weight of A2536/0107884 is 459.20 g/mol.
Where can I buy A2536/0107884?
You can request a quote for A2536/0107884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2536/0107884?
Yes, KEHONG BIO provides custom synthesis services for A2536/0107884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.