3-Epidehydrotumulosic Acid
TL;DR: 3-Epidehydrotumulosic Acid (CAS 167775-54-4) is a chemical compound with molecular formula C31H48O4 and molecular weight 484.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Also Known As: 3-epidehydrotumulosic acid, Dehydrotumulosic acid, 3-Epidehydrotumulosate, 3-epi-Dehydrotumulosic acid, 3-epi-dehydro-tumulosic acid
| Molecular Formula | C31H48O4 |
|---|---|
| Molecular Weight | 484.36 g/mol |
| LogP | 6.5366 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.35526 |
| Heavy Atoms | 35 |
| Complexity | 957.02997 |
Chemical Identifiers
| CAS Number | 167775-54-4 |
|---|---|
| SMILES | CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)O)C(=O)O |
Product Overview
3-Epidehydrotumulosic Acid (CAS 167775-54-4), with molecular formula C31H48O4 and molecular weight 484.36 g/mol. IUPAC: (2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid.
Chemical Property Profile of 3-Epidehydrotumulosic Acid
Property Insights of 3-Epidehydrotumulosic Acid
The XLogP value of 6.5366 indicates that 3-Epidehydrotumulosic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Epidehydrotumulosic Acid. Following Lipinski's Rule of Five, 3-Epidehydrotumulosic Acid has 3 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 3-Epidehydrotumulosic Acid?
The CAS number of 3-Epidehydrotumulosic Acid is 167775-54-4.
What is the molecular formula of 3-Epidehydrotumulosic Acid?
The molecular formula of 3-Epidehydrotumulosic Acid is C31H48O4.
What is the molecular weight of 3-Epidehydrotumulosic Acid?
The molecular weight of 3-Epidehydrotumulosic Acid is 484.36 g/mol.
Where can I buy 3-Epidehydrotumulosic Acid?
You can request a quote for 3-Epidehydrotumulosic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Epidehydrotumulosic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Epidehydrotumulosic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.