油桐酸
TL;DR: 油桐酸 (CAS 85473-38-7) 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.
油桐酸
(4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Maprounic acid, Aleuritolic acid, 3-Hydroxyurs-12-en-29-oic acid, 3beta-Hydroxyurs-12-en-29-oic acid, 9,10,16-Trihydroxypalmitic acid
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36 g/mol |
| LogP | 7.8 |
| 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 | 885.0 |
Chemical Identifiers
| CAS Number | 85473-38-7 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC[C@@]4(C3=CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O |
| InChIKey | BHHPRAFMEFGOLZ-QVUWEPBXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
油桐酸 (CAS 85473-38-7), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of 油桐酸
Property Insights of 油桐酸
The XLogP value of 7.8 indicates that 油桐酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 油桐酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 油桐酸 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 油桐酸?
The CAS number of 油桐酸 is 85473-38-7.
What is the molecular formula of 油桐酸?
The molecular formula of 油桐酸 is C30H48O3.
What is the molecular weight of 油桐酸?
The molecular weight of 油桐酸 is 456.36 g/mol.
Where can I buy 油桐酸?
You can request a quote for 油桐酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 油桐酸?
Yes, KEHONG BIO provides custom synthesis services for 油桐酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.