Butenandt's acid
TL;DR: Butenandt's acid (CAS 469-04-5) is a chemical compound with molecular formula C27H42O5 and molecular weight 446.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aS,7aR)-5-[(1R)-2-carboxy-1-methyl-4-oxocyclohex-2-en-1-yl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid
Also Known As: Butenandt's acid, 3-Oxo-6,7-secocholest-4-ene 6,7-dioic acid, 6,7-Secocholest-4-ene-6,7-dioic acid, 3-oxo-, (1R,3aS,7aR)-5-[(1R)-2-carboxy-1-methyl-4-oxocyclohex-2-en-1-yl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid, (1R,3aS,7aR)-5-[(1R)-2-Carboxy-1-methyl-4-oxocyclohex-2-en-1-yl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]octahydro-1H-indene-4-carboxylic acid
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30 g/mol |
| LogP | 5.9723 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 782.9162 |
Chemical Identifiers
| CAS Number | 469-04-5 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC(C2C(=O)O)[C@]3(CCC(=O)C=C3C(=O)O)C)C |
Product Overview
Butenandt's acid (CAS 469-04-5), with molecular formula C27H42O5 and molecular weight 446.30 g/mol. IUPAC: (1R,3aS,7aR)-5-[(1R)-2-carboxy-1-methyl-4-oxocyclohex-2-en-1-yl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid.
Chemical Property Profile of Butenandt's acid
Property Insights of Butenandt's acid
The XLogP value of 5.9723 indicates that Butenandt's acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Butenandt's acid. Following Lipinski's Rule of Five, Butenandt's acid has 2 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 Butenandt's acid?
The CAS number of Butenandt's acid is 469-04-5.
What is the molecular formula of Butenandt's acid?
The molecular formula of Butenandt's acid is C27H42O5.
What is the molecular weight of Butenandt's acid?
The molecular weight of Butenandt's acid is 446.30 g/mol.
Where can I buy Butenandt's acid?
You can request a quote for Butenandt's acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butenandt's acid?
Yes, KEHONG BIO provides custom synthesis services for Butenandt's acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.