Dehydrotumulosic acid
TL;DR: Dehydrotumulosic acid (CAS 78232-99-2) 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-[(3S,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: Dehydrotumulosic acid, KST-1A8217, 8099AH, (2R)-2-[(3S,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, (3
| Molecular Formula | C31H48O4 |
|---|---|
| Molecular Weight | 484.36 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.35526 |
| Heavy Atoms | 35 |
| Complexity | 957.0 |
Chemical Identifiers
| CAS Number | 78232-99-2 |
|---|---|
| SMILES | CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O)C(=O)O |
| InChIKey | LADJWZMBZBVBSB-DWSVKRSBSA-N |
Product Overview
Dehydrotumulosic acid (CAS 78232-99-2), with molecular formula C31H48O4 and molecular weight 484.36 g/mol. IUPAC: (2R)-2-[(3S,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 Dehydrotumulosic acid
Property Insights of Dehydrotumulosic acid
The XLogP value of 6.4 indicates that Dehydrotumulosic acid 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 Dehydrotumulosic acid. Following Lipinski's Rule of Five, Dehydrotumulosic acid 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 Dehydrotumulosic acid?
The CAS number of Dehydrotumulosic acid is 78232-99-2.
What is the molecular formula of Dehydrotumulosic acid?
The molecular formula of Dehydrotumulosic acid is C31H48O4.
What is the molecular weight of Dehydrotumulosic acid?
The molecular weight of Dehydrotumulosic acid is 484.36 g/mol.
Where can I buy Dehydrotumulosic acid?
You can request a quote for Dehydrotumulosic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrotumulosic acid?
Yes, KEHONG BIO provides custom synthesis services for Dehydrotumulosic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.