Urs-12-en-28-oic acid, 3-oxo-
TL;DR: Urs-12-en-28-oic acid, 3-oxo- (CAS 6246-46-4) is a chemical compound with molecular formula C30H46O3 and molecular weight 454.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4aS,6aR,6aS,6bR,12aR,14bR)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Bipindaloside, 3-Oxours-12-en-28-oic acid, Urs-12-en-28-oic acid, 3-oxo-, (5xi)-3-Oxo-18alpha-urs-12-en-28-oic acid, Ursonic acid pound>>3-oxo-urs-12-en-28-oic acid
| Molecular Formula | C30H46O3 |
|---|---|
| Molecular Weight | 454.34 g/mol |
| LogP | 7.2977 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 454.3447 |
| Heavy Atoms | 33 |
| Complexity | 915.5025 |
Chemical Identifiers
| CAS Number | 6246-46-4 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CCC(=O)C5(C)C)C)C)[C@H]2[C@H]1C)C)C(=O)O |
Product Overview
Urs-12-en-28-oic acid, 3-oxo- (CAS 6246-46-4), with molecular formula C30H46O3 and molecular weight 454.34 g/mol. IUPAC: (1S,2R,4aS,6aR,6aS,6bR,12aR,14bR)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Urs-12-en-28-oic acid, 3-oxo-
Property Insights of Urs-12-en-28-oic acid, 3-oxo-
The XLogP value of 7.2977 indicates that Urs-12-en-28-oic acid, 3-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, Urs-12-en-28-oic acid, 3-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urs-12-en-28-oic acid, 3-oxo- has 1 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-28-oic acid, 3-oxo-?
The CAS number of Urs-12-en-28-oic acid, 3-oxo- is 6246-46-4.
What is the molecular formula of Urs-12-en-28-oic acid, 3-oxo-?
The molecular formula of Urs-12-en-28-oic acid, 3-oxo- is C30H46O3.
What is the molecular weight of Urs-12-en-28-oic acid, 3-oxo-?
The molecular weight of Urs-12-en-28-oic acid, 3-oxo- is 454.34 g/mol.
Where can I buy Urs-12-en-28-oic acid, 3-oxo-?
You can request a quote for Urs-12-en-28-oic acid, 3-oxo- 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-28-oic acid, 3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Urs-12-en-28-oic acid, 3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.