3,7-二羟基熊果-12-烯-29-酸
TL;DR: 3,7-二羟基熊果-12-烯-29-酸 (CAS 94729-08-5) 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.
3,7-二羟基熊果-12-烯-29-酸
(1S,2R,4aR,6aR,6aR,6bR,7S,10S,12aS,14bS)-7,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-1-carboxylic acid
Also Known As: 3,7-Dihydroxyurs-12-en-29-oic acid, (5xi)-3beta,7beta-Dihydroxy-18alpha-urs-12-en-29-oic acid, (1S,2R,4aR,6aR,6aR,6bR,7S,10S,12aS,14bS)-7,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-1-carboxylic acid
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 6.4 |
| 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 | 907.0 |
Chemical Identifiers
| CAS Number | 94729-08-5 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3([C@H](CC5[C@@]4(CC[C@@H](C5(C)C)O)C)O)C)[C@H]2[C@H]1C(=O)O)C)C |
| InChIKey | IPISHAKHAMLKQV-XVAARJQCSA-N |
Product Overview
3,7-二羟基熊果-12-烯-29-酸 (CAS 94729-08-5), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: (1S,2R,4aR,6aR,6aR,6bR,7S,10S,12aS,14bS)-7,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-1-carboxylic acid.
Chemical Property Profile of 3,7-二羟基熊果-12-烯-29-酸
Property Insights of 3,7-二羟基熊果-12-烯-29-酸
The XLogP value of 6.4 indicates that 3,7-二羟基熊果-12-烯-29-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 3,7-二羟基熊果-12-烯-29-酸. Following Lipinski's Rule of Five, 3,7-二羟基熊果-12-烯-29-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 3,7-二羟基熊果-12-烯-29-酸?
The CAS number of 3,7-二羟基熊果-12-烯-29-酸 is 94729-08-5.
What is the molecular formula of 3,7-二羟基熊果-12-烯-29-酸?
The molecular formula of 3,7-二羟基熊果-12-烯-29-酸 is C30H48O4.
What is the molecular weight of 3,7-二羟基熊果-12-烯-29-酸?
The molecular weight of 3,7-二羟基熊果-12-烯-29-酸 is 472.36 g/mol.
Where can I buy 3,7-二羟基熊果-12-烯-29-酸?
You can request a quote for 3,7-二羟基熊果-12-烯-29-酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-二羟基熊果-12-烯-29-酸?
Yes, KEHONG BIO provides custom synthesis services for 3,7-二羟基熊果-12-烯-29-酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.