Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate
TL;DR: Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate (CAS 4356-32-5) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Also Known As: Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate, methyl3beta-hydroxy-20-oxo-30-norlupan-28-oate, methyl-3beta-hydroxy-20-oxo-30-norlupan-28-oate, A-Hydroxy-20-oxo-30-nor-lupansaeure-(28)-methylester, 3beta-Hydroxy-20-oxo-30-norlupan-28-oic acid methyl ester
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 879.0 |
Chemical Identifiers
| CAS Number | 4356-32-5 |
|---|---|
| SMILES | CC(=O)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)OC |
| InChIKey | ZHIVKEAQDLRABF-FZFNOLFKSA-N |
Product Overview
Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate (CAS 4356-32-5), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate.
Chemical Property Profile of Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate
Property Insights of Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate
The XLogP value of 6.5 indicates that Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate. Following Lipinski's Rule of Five, Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate?
The CAS number of Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate is 4356-32-5.
What is the molecular formula of Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate?
The molecular formula of Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate is C30H48O4.
What is the molecular weight of Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate?
The molecular weight of Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate is 472.36 g/mol.
Where can I buy Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate?
You can request a quote for Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.