α-榄香醇酸
TL;DR: α-榄香醇酸 (CAS 28282-27-1) 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.
α-榄香醇酸
(2S)-2-[(3R,5R,10S,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Also Known As: alpha-Elemolic acid, 3-Hydroxytirucallic acid, a-Elemolic acid, Elemadienolic acid, Epielemadienolic 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 | 5 |
| Exact Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 28282-27-1 |
|---|---|
| SMILES | CC(=CCC[C@@H]([C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)C(=O)O)C |
| InChIKey | NBSBUIQBEPROBM-IMJUUJEHSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-榄香醇酸 (CAS 28282-27-1), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: (2S)-2-[(3R,5R,10S,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid.
Chemical Property Profile of α-榄香醇酸
Property Insights of α-榄香醇酸
The XLogP value of 7.5 indicates that α-榄香醇酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, α-榄香醇酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-榄香醇酸 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 α-榄香醇酸?
The CAS number of α-榄香醇酸 is 28282-27-1.
What is the molecular formula of α-榄香醇酸?
The molecular formula of α-榄香醇酸 is C30H48O3.
What is the molecular weight of α-榄香醇酸?
The molecular weight of α-榄香醇酸 is 456.36 g/mol.
Where can I buy α-榄香醇酸?
You can request a quote for α-榄香醇酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-榄香醇酸?
Yes, KEHONG BIO provides custom synthesis services for α-榄香醇酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.