3beta,16alpha-Dihydroxyurs-12-ene
TL;DR: 3beta,16alpha-Dihydroxyurs-12-ene (CAS 31575-82-3) is a chemical compound with molecular formula C30H50O2 and molecular weight 442.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aR,6aR,6bS,8R,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-3,8-diol
Also Known As: Brein, Urs-12-ene-3,16-diol, 3beta,16alpha-Dihydroxyurs-12-ene, Urs-12-ene-3beta,16alpha-diol, (3beta,16alpha)-Urs-12-ene-3,16-diol
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.38 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 31575-82-3 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@@H](C[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)O)C |
| InChIKey | VJFLMYRRJUWADI-DBHRHCOISA-N |
Product Overview
3beta,16alpha-Dihydroxyurs-12-ene (CAS 31575-82-3), with molecular formula C30H50O2 and molecular weight 442.38 g/mol. IUPAC: (3S,4aR,6aR,6bS,8R,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-3,8-diol.
Chemical Property Profile of 3beta,16alpha-Dihydroxyurs-12-ene
Property Insights of 3beta,16alpha-Dihydroxyurs-12-ene
The XLogP value of 7.5 indicates that 3beta,16alpha-Dihydroxyurs-12-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3beta,16alpha-Dihydroxyurs-12-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta,16alpha-Dihydroxyurs-12-ene 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 3beta,16alpha-Dihydroxyurs-12-ene?
The CAS number of 3beta,16alpha-Dihydroxyurs-12-ene is 31575-82-3.
What is the molecular formula of 3beta,16alpha-Dihydroxyurs-12-ene?
The molecular formula of 3beta,16alpha-Dihydroxyurs-12-ene is C30H50O2.
What is the molecular weight of 3beta,16alpha-Dihydroxyurs-12-ene?
The molecular weight of 3beta,16alpha-Dihydroxyurs-12-ene is 442.38 g/mol.
Where can I buy 3beta,16alpha-Dihydroxyurs-12-ene?
You can request a quote for 3beta,16alpha-Dihydroxyurs-12-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta,16alpha-Dihydroxyurs-12-ene?
Yes, KEHONG BIO provides custom synthesis services for 3beta,16alpha-Dihydroxyurs-12-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.