L 643049-33H03
TL;DR: L 643049-33H03 (CAS 79902-61-7) is a chemical compound with molecular formula C27H42O5 and molecular weight 446.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3S,7R,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-diethylbutanoate
Also Known As: L 643049-33H03, Butanoic acid, 2,2-diethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha,3alpha,7beta,8beta(2S*,4S*),8abeta))-, (1S,3S,7R,8R,8aS)-8-{2-[(2R,4R)-4-Hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-diethylbutanoate, [(1S,3S,7R,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-diethylbutanoate, 8-[2-(4-Hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-diethylbutanoate
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 79902-61-7 |
|---|---|
| SMILES | CCC(CC)(CC)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](CC(=O)O3)O)C |
| InChIKey | YNAMVFSBFMILIU-OUNYJKISSA-N |
Product Overview
L 643049-33H03 (CAS 79902-61-7), with molecular formula C27H42O5 and molecular weight 446.30 g/mol. IUPAC: [(1S,3S,7R,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-diethylbutanoate.
Chemical Property Profile of L 643049-33H03
Property Insights of L 643049-33H03
The XLogP value of 5.4 indicates that L 643049-33H03 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 643049-33H03. Following Lipinski's Rule of Five, L 643049-33H03 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 643049-33H03?
The CAS number of L 643049-33H03 is 79902-61-7.
What is the molecular formula of L 643049-33H03?
The molecular formula of L 643049-33H03 is C27H42O5.
What is the molecular weight of L 643049-33H03?
The molecular weight of L 643049-33H03 is 446.30 g/mol.
Where can I buy L 643049-33H03?
You can request a quote for L 643049-33H03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L 643049-33H03?
Yes, KEHONG BIO provides custom synthesis services for L 643049-33H03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.