Urs-12-en-3-ol, tetratriacontanoate, (3beta)-
TL;DR: Urs-12-en-3-ol, tetratriacontanoate, (3beta)- (CAS 124693-68-1) is a chemical compound with molecular formula C64H116O2 and molecular weight 916.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,6aR,6bS,8aR,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-picen-3-yl] tetratriacontanoate
Also Known As: alpha-Amyrin tetratriacontanoate, Urs-12-en-3-yl tetratriacontanoate, Urs-12-en-3-ol, tetratriacontanoate, (3beta)-, (5xi)-18alpha-Urs-12-en-3beta-yl tetratriacontanoate, [(3S,6aR,6bS,8aR,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-picen-3-yl] tetratriacontanoate
| Molecular Formula | C64H116O2 |
|---|---|
| Molecular Weight | 916.90 g/mol |
| LogP | 26.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 34 |
| Exact Mass | 916.8975 |
| Heavy Atoms | 66 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 124693-68-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC=C4[C@H]5[C@H]([C@@H](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)C)C)C |
| InChIKey | JQGZKTFAYYVRDZ-ZZISAQBCSA-N |
Product Overview
Urs-12-en-3-ol, tetratriacontanoate, (3beta)- (CAS 124693-68-1), with molecular formula C64H116O2 and molecular weight 916.90 g/mol. IUPAC: [(3S,6aR,6bS,8aR,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-picen-3-yl] tetratriacontanoate.
Chemical Property Profile of Urs-12-en-3-ol, tetratriacontanoate, (3beta)-
Property Insights of Urs-12-en-3-ol, tetratriacontanoate, (3beta)-
The XLogP value of 26.7 indicates that Urs-12-en-3-ol, tetratriacontanoate, (3beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Urs-12-en-3-ol, tetratriacontanoate, (3beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urs-12-en-3-ol, tetratriacontanoate, (3beta)- has 0 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 Urs-12-en-3-ol, tetratriacontanoate, (3beta)-?
The CAS number of Urs-12-en-3-ol, tetratriacontanoate, (3beta)- is 124693-68-1.
What is the molecular formula of Urs-12-en-3-ol, tetratriacontanoate, (3beta)-?
The molecular formula of Urs-12-en-3-ol, tetratriacontanoate, (3beta)- is C64H116O2.
What is the molecular weight of Urs-12-en-3-ol, tetratriacontanoate, (3beta)-?
The molecular weight of Urs-12-en-3-ol, tetratriacontanoate, (3beta)- is 916.90 g/mol.
Where can I buy Urs-12-en-3-ol, tetratriacontanoate, (3beta)-?
You can request a quote for Urs-12-en-3-ol, tetratriacontanoate, (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-3-ol, tetratriacontanoate, (3beta)-?
Yes, KEHONG BIO provides custom synthesis services for Urs-12-en-3-ol, tetratriacontanoate, (3beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.