朴莫酸
TL;DR: 朴莫酸 (CAS 13849-91-7) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
朴莫酸
(1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Pomolic acid, (3beta,5xi,18alpha)-3,19-dihydroxyurs-12-en-28-oic acid, (1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 923.0 |
Chemical Identifiers
| CAS Number | 13849-91-7 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@H]2[C@]1(C)O)C)C(=O)O |
| InChIKey | ZZTYPLSBNNGEIS-SRKVOUHPSA-N |
Product Overview
朴莫酸 (CAS 13849-91-7), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: (1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of 朴莫酸
Property Insights of 朴莫酸
The XLogP value of 5.9 indicates that 朴莫酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 朴莫酸. Following Lipinski's Rule of Five, 朴莫酸 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 朴莫酸?
The CAS number of 朴莫酸 is 13849-91-7.
What is the molecular formula of 朴莫酸?
The molecular formula of 朴莫酸 is C30H48O4.
What is the molecular weight of 朴莫酸?
The molecular weight of 朴莫酸 is 472.36 g/mol.
Where can I buy 朴莫酸?
You can request a quote for 朴莫酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 朴莫酸?
Yes, KEHONG BIO provides custom synthesis services for 朴莫酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.