LFA451
TL;DR: LFA451 (CAS 288323-74-0) is a chemical compound with molecular formula C35H50N2O8 and molecular weight 626.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-4-[2-(2-hydroxyethylamino)-2-oxoethyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxo-1,3-oxazinan-6-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
Also Known As: LFA451, J1.717.635H, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-((4R,6R)-tetrahydro-4-(2-((2-hydroxyethyl)amino)-2-oxoethyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)-2-oxo-2H-1,3-oxazin-6-yl)ethyl)-1-naphthalenyl (2S)-2-methylbutanoate, Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((4R,6R)-tetrahydro-4-(2-((2-hydroxyethyl)amino)-2-oxoethyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)-2-oxo-2H-1,3-oxazin-6-yl)ethyl)-1-naphthalenyl ester, (2S)-, (1S,3R,7S,8S,8aR)-8-{2-[(4R,6R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-{[(2-hydroxyethyl)carbamoyl]methyl}-2-oxo-1,3-oxazinan-6-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate
| Molecular Formula | C35H50N2O8 |
|---|---|
| Molecular Weight | 626.36 g/mol |
| LogP | 5.1215 |
| Topological Polar Surface Area | 134.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 626.3567 |
| Heavy Atoms | 45 |
| Complexity | 1262.0336 |
Chemical Identifiers
| CAS Number | 288323-74-0 |
|---|---|
| SMILES | CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@@H](N(C(=O)O3)CC4=CC(=C(C=C4)O)OC)CC(=O)NCCO)C |
Product Overview
LFA451 (CAS 288323-74-0), with molecular formula C35H50N2O8 and molecular weight 626.36 g/mol. IUPAC: [(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-4-[2-(2-hydroxyethylamino)-2-oxoethyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxo-1,3-oxazinan-6-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate.
Chemical Property Profile of LFA451
Property Insights of LFA451
The XLogP value of 5.1215 indicates that LFA451 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.63 Ų falls within the moderate polarity range, balancing permeability and solubility for LFA451. Following Lipinski's Rule of Five, LFA451 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LFA451?
The CAS number of LFA451 is 288323-74-0.
What is the molecular formula of LFA451?
The molecular formula of LFA451 is C35H50N2O8.
What is the molecular weight of LFA451?
The molecular weight of LFA451 is 626.36 g/mol.
Where can I buy LFA451?
You can request a quote for LFA451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LFA451?
Yes, KEHONG BIO provides custom synthesis services for LFA451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.