3-Hydroxyurs-12-en-27-oic acid
TL;DR: 3-Hydroxyurs-12-en-27-oic acid (CAS 24778-49-2) 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,4aR,6aR,6aR,6bR,10S,12aR,14bS)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
Also Known As: alpha-peltoboykinolic acid, 3-hydroxyurs-12-en-27-oic acid, 3beta-hydroxyurs-12-en-27-oic acid, (5xi)-3beta-Hydroxy-18alpha-urs-12-en-27-oic acid, (1S,2R,4aR,6aR,6aR,6bR,10S,12aR,14bS)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36 g/mol |
| LogP | 7.5 |
| 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 | 24778-49-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@H]2[C@H]1C)C(=O)O)C |
| InChIKey | RXVRYAUOTRSYDU-RKQWDYETSA-N |
Product Overview
3-Hydroxyurs-12-en-27-oic acid (CAS 24778-49-2), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: (1S,2R,4aR,6aR,6aR,6bR,10S,12aR,14bS)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid.
Chemical Property Profile of 3-Hydroxyurs-12-en-27-oic acid
Property Insights of 3-Hydroxyurs-12-en-27-oic acid
The XLogP value of 7.5 indicates that 3-Hydroxyurs-12-en-27-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Hydroxyurs-12-en-27-oic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyurs-12-en-27-oic acid 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 3-Hydroxyurs-12-en-27-oic acid?
The CAS number of 3-Hydroxyurs-12-en-27-oic acid is 24778-49-2.
What is the molecular formula of 3-Hydroxyurs-12-en-27-oic acid?
The molecular formula of 3-Hydroxyurs-12-en-27-oic acid is C30H48O3.
What is the molecular weight of 3-Hydroxyurs-12-en-27-oic acid?
The molecular weight of 3-Hydroxyurs-12-en-27-oic acid is 456.36 g/mol.
Where can I buy 3-Hydroxyurs-12-en-27-oic acid?
You can request a quote for 3-Hydroxyurs-12-en-27-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyurs-12-en-27-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyurs-12-en-27-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.