L 647318
TL;DR: L 647318 (CAS 87770-13-6) is a chemical compound with molecular formula C25H42O5 and molecular weight 422.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3S,4aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate
Also Known As: L 647318, 2-trifluoromethyl acrylic acid ethyl ester, L-647318, L-647,318, [(1S,3S,4aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate
| Molecular Formula | C25H42O5 |
|---|---|
| Molecular Weight | 422.30 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.30322 |
| Heavy Atoms | 30 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 87770-13-6 |
|---|---|
| SMILES | CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@H]2C1C(C(CC2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C |
| InChIKey | RCXGNJNDQYAWDC-SPZFCNDCSA-N |
Product Overview
L 647318 (CAS 87770-13-6), with molecular formula C25H42O5 and molecular weight 422.30 g/mol. IUPAC: [(1S,3S,4aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate.
Chemical Property Profile of L 647318
Property Insights of L 647318
The XLogP value of 5.9 indicates that L 647318 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for L 647318. Following Lipinski's Rule of Five, L 647318 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L 647318?
The CAS number of L 647318 is 87770-13-6.
What is the molecular formula of L 647318?
The molecular formula of L 647318 is C25H42O5.
What is the molecular weight of L 647318?
The molecular weight of L 647318 is 422.30 g/mol.
Where can I buy L 647318?
You can request a quote for L 647318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L 647318?
Yes, KEHONG BIO provides custom synthesis services for L 647318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.