Methyl 2,3-dihydroxyurs-12-en-28-oate
TL;DR: Methyl 2,3-dihydroxyurs-12-en-28-oate (CAS 4518-70-1) is a chemical compound with molecular formula C31H50O4 and molecular weight 486.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
Also Known As: Methyl corosolate, Methyl 2alpha-hydroxyursolate, Methyl 2,3-dihydroxyurs-12-en-28-oate #, Methyl 2.alpha.,3.beta.-dihydroxyurs-12-en-28-oate, methyl 10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
| Molecular Formula | C31H50O4 |
|---|---|
| Molecular Weight | 486.37 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 486.3709 |
| Heavy Atoms | 35 |
| Complexity | 923.0 |
Chemical Identifiers
| CAS Number | 4518-70-1 |
|---|---|
| SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)OC |
| InChIKey | BRZWXKGDPAZBLF-UHFFFAOYSA-N |
Product Overview
Methyl 2,3-dihydroxyurs-12-en-28-oate (CAS 4518-70-1), with molecular formula C31H50O4 and molecular weight 486.37 g/mol. IUPAC: methyl 10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate.
Chemical Property Profile of Methyl 2,3-dihydroxyurs-12-en-28-oate
Property Insights of Methyl 2,3-dihydroxyurs-12-en-28-oate
The XLogP value of 6.7 indicates that Methyl 2,3-dihydroxyurs-12-en-28-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,3-dihydroxyurs-12-en-28-oate. Following Lipinski's Rule of Five, Methyl 2,3-dihydroxyurs-12-en-28-oate has 2 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 Methyl 2,3-dihydroxyurs-12-en-28-oate?
The CAS number of Methyl 2,3-dihydroxyurs-12-en-28-oate is 4518-70-1.
What is the molecular formula of Methyl 2,3-dihydroxyurs-12-en-28-oate?
The molecular formula of Methyl 2,3-dihydroxyurs-12-en-28-oate is C31H50O4.
What is the molecular weight of Methyl 2,3-dihydroxyurs-12-en-28-oate?
The molecular weight of Methyl 2,3-dihydroxyurs-12-en-28-oate is 486.37 g/mol.
Where can I buy Methyl 2,3-dihydroxyurs-12-en-28-oate?
You can request a quote for Methyl 2,3-dihydroxyurs-12-en-28-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3-dihydroxyurs-12-en-28-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3-dihydroxyurs-12-en-28-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.