XR808
TL;DR: XR808 (CAS 167826-88-2) is a chemical compound with molecular formula C31H48N2O3 and molecular weight 496.3665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
XR808
(4R,5S,6S,7R)-1-benzyl-3-(cyclohexa-1,5-dien-1-ylmethyl)-4,7-bis(2-ethylbutyl)-5,6-dihydroxy-1,3-diazepan-2-one
Also Known As: XR808, XR 808, N-
Technical Specifications
| Molecular Formula | C31H48N2O3 |
| Molecular Weight | 496.3665 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 64.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 496.3665 Da |
| Heavy Atoms | 36 |
| Complexity | 721.0 |
| SMILES | CCC(CC)C[C@@H]1[C@@H]([C@H]([C@H](N(C(=O)N1CC2=CCCC=C2)CC3=CC=CC=C3)CC(CC)CC)O)O |
| InChIKey | OBPQHZUVRTZNBQ-XAZDILKDSA-N |
Chemical Property Profile of XR808
Property Insights of XR808
The XLogP value of 6.7 indicates that XR808 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for XR808. Following Lipinski's Rule of Five, XR808 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of XR808?
The CAS number of XR808 is 167826-88-2.
What is the molecular formula of XR808?
The molecular formula of XR808 is C31H48N2O3.
What is the molecular weight of XR808?
The molecular weight of XR808 is 496.3665 g/mol.
Where can I buy XR808?
You can request a quote for XR808 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for XR808?
Yes, CoreyChem provides custom synthesis services for XR808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.