3Alpha-Hydroxyurs-12-En-28-Oic Acid
TL;DR: 3Alpha-Hydroxyurs-12-En-28-Oic Acid (CAS 989-30-0) 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.
(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-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: 3-epiursolic acid, 3-Epiursolicacid, 3-epi-ursolic acid, 3alpha-Hydroxyurs-12-en-28-oic Acid, HY-N4289
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36 g/mol |
| LogP | 7.0895 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 873.7675 |
Chemical Identifiers
| CAS Number | 989-30-0 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
Product Overview
3Alpha-Hydroxyurs-12-En-28-Oic Acid (CAS 989-30-0), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-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 3Alpha-Hydroxyurs-12-En-28-Oic Acid
Property Insights of 3Alpha-Hydroxyurs-12-En-28-Oic Acid
The XLogP value of 7.0895 indicates that 3Alpha-Hydroxyurs-12-En-28-Oic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 3Alpha-Hydroxyurs-12-En-28-Oic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3Alpha-Hydroxyurs-12-En-28-Oic Acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3Alpha-Hydroxyurs-12-En-28-Oic Acid?
The CAS number of 3Alpha-Hydroxyurs-12-En-28-Oic Acid is 989-30-0.
What is the molecular formula of 3Alpha-Hydroxyurs-12-En-28-Oic Acid?
The molecular formula of 3Alpha-Hydroxyurs-12-En-28-Oic Acid is C30H48O3.
What is the molecular weight of 3Alpha-Hydroxyurs-12-En-28-Oic Acid?
The molecular weight of 3Alpha-Hydroxyurs-12-En-28-Oic Acid is 456.36 g/mol.
Where can I buy 3Alpha-Hydroxyurs-12-En-28-Oic Acid?
You can request a quote for 3Alpha-Hydroxyurs-12-En-28-Oic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3Alpha-Hydroxyurs-12-En-28-Oic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3Alpha-Hydroxyurs-12-En-28-Oic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.