Benulin
TL;DR: Benulin (CAS 59157-84-5) is a chemical compound with molecular formula C30H46O4 and molecular weight 470.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,5R,6R,7R,10S,13R,14R,17R,19S)-19-hydroxy-13,14,18,18-tetramethyl-7-prop-1-en-2-yl-20-oxahexacyclo[17.2.2.01,17.02,14.05,13.06,10]tricosane-10-carboxylic acid
Also Known As: Benulin, Lantabetulic acid, 3alpha-Hydroxy-3,25-epoxylup-20(29)-en-28-oic acid, 3-Hydroxy-3,25-epoxylup-20(29)-en-28-oic acid, 3 alpha-hydroxy-3,25-epoxylup-20(29)-en-28-oic acid
| Molecular Formula | C30H46O4 |
|---|---|
| Molecular Weight | 470.34 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 470.3396 |
| Heavy Atoms | 34 |
| Complexity | 940.0 |
Chemical Identifiers
| CAS Number | 59157-84-5 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@]46CC[C@@](C5(C)C)(OC6)O)C)C(=O)O |
| InChIKey | KYHMRXXFJAZYRF-MSBRYPFUSA-N |
Product Overview
Benulin (CAS 59157-84-5), with molecular formula C30H46O4 and molecular weight 470.34 g/mol. IUPAC: (1S,2S,5R,6R,7R,10S,13R,14R,17R,19S)-19-hydroxy-13,14,18,18-tetramethyl-7-prop-1-en-2-yl-20-oxahexacyclo[17.2.2.01,17.02,14.05,13.06,10]tricosane-10-carboxylic acid.
Chemical Property Profile of Benulin
Property Insights of Benulin
The XLogP value of 7.2 indicates that Benulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benulin. Following Lipinski's Rule of Five, Benulin has 2 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 Benulin?
The CAS number of Benulin is 59157-84-5.
What is the molecular formula of Benulin?
The molecular formula of Benulin is C30H46O4.
What is the molecular weight of Benulin?
The molecular weight of Benulin is 470.34 g/mol.
Where can I buy Benulin?
You can request a quote for Benulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benulin?
Yes, KEHONG BIO provides custom synthesis services for Benulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.