Urs-12-en-3beta-yl 3-phenylprop-2-enoate
TL;DR: Urs-12-en-3beta-yl 3-phenylprop-2-enoate (CAS 13161-35-8) is a chemical compound with molecular formula C39H56O2 and molecular weight 556.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,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] 3-phenylprop-2-enoate
Also Known As: Urs-12-en-3beta-yl 3-phenylprop-2-enoate, Urs-12-en-3-ol, 3-(3-phenyl-2-propenoate), (3I(2))-
| Molecular Formula | C39H56O2 |
|---|---|
| Molecular Weight | 556.43 g/mol |
| LogP | 11.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 556.42804 |
| Heavy Atoms | 41 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 13161-35-8 |
|---|---|
| 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)OC(=O)C=CC6=CC=CC=C6)C)C)[C@@H]2[C@H]1C)C)C |
| InChIKey | SKSWXHZBFRPYAH-MXHFLWJQSA-N |
Product Overview
Urs-12-en-3beta-yl 3-phenylprop-2-enoate (CAS 13161-35-8), with molecular formula C39H56O2 and molecular weight 556.43 g/mol. IUPAC: [(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,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] 3-phenylprop-2-enoate.
Chemical Property Profile of Urs-12-en-3beta-yl 3-phenylprop-2-enoate
Property Insights of Urs-12-en-3beta-yl 3-phenylprop-2-enoate
The XLogP value of 11.7 indicates that Urs-12-en-3beta-yl 3-phenylprop-2-enoate 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-3beta-yl 3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urs-12-en-3beta-yl 3-phenylprop-2-enoate 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-3beta-yl 3-phenylprop-2-enoate?
The CAS number of Urs-12-en-3beta-yl 3-phenylprop-2-enoate is 13161-35-8.
What is the molecular formula of Urs-12-en-3beta-yl 3-phenylprop-2-enoate?
The molecular formula of Urs-12-en-3beta-yl 3-phenylprop-2-enoate is C39H56O2.
What is the molecular weight of Urs-12-en-3beta-yl 3-phenylprop-2-enoate?
The molecular weight of Urs-12-en-3beta-yl 3-phenylprop-2-enoate is 556.43 g/mol.
Where can I buy Urs-12-en-3beta-yl 3-phenylprop-2-enoate?
You can request a quote for Urs-12-en-3beta-yl 3-phenylprop-2-enoate 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-3beta-yl 3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Urs-12-en-3beta-yl 3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.