Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-
TL;DR: Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)- (CAS 158253-87-3) is a chemical compound with molecular formula C30H48O3 and molecular weight 456.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Also Known As: Ursolic acid, Prunol, Malol, Urson, 3-epiursolic acid
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 158253-87-3 |
|---|---|
| SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
| InChIKey | WCGUUGGRBIKTOS-UHFFFAOYSA-N |
Product Overview
Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)- (CAS 158253-87-3), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid.
Chemical Property Profile of Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-
Property Insights of Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-
The XLogP value of 7.3 indicates that Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-?
The CAS number of Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)- is 158253-87-3.
What is the molecular formula of Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-?
The molecular formula of Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)- is C30H48O3.
What is the molecular weight of Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-?
The molecular weight of Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)- is 456.36 g/mol.
Where can I buy Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-?
You can request a quote for Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-?
Yes, KEHONG BIO provides custom synthesis services for Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.