1xdg
TL;DR: 1xdg (CAS 288323-75-1) is a chemical compound with molecular formula C34H48N2O7 and molecular weight 596.35 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)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[2-(methylamino)-2-oxoethyl]-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: 1xdg, LFA878, Lfa 878, (+)-LFA-878, (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE
| Molecular Formula | C34H48N2O7 |
|---|---|
| Molecular Weight | 596.35 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 596.3461 |
| Heavy Atoms | 43 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 288323-75-1 |
|---|---|
| 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)NC)C |
| InChIKey | XGCZRGJUCNQVCO-XFAJEYMZSA-N |
Product Overview
1xdg (CAS 288323-75-1), with molecular formula C34H48N2O7 and molecular weight 596.35 g/mol. IUPAC: [(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[2-(methylamino)-2-oxoethyl]-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 1xdg
Property Insights of 1xdg
The XLogP value of 5.4 indicates that 1xdg is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1xdg. Following Lipinski's Rule of Five, 1xdg has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1xdg?
The CAS number of 1xdg is 288323-75-1.
What is the molecular formula of 1xdg?
The molecular formula of 1xdg is C34H48N2O7.
What is the molecular weight of 1xdg?
The molecular weight of 1xdg is 596.35 g/mol.
Where can I buy 1xdg?
You can request a quote for 1xdg directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1xdg?
Yes, KEHONG BIO provides custom synthesis services for 1xdg and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.