2,3-Secocholestan-2,3-dioic acid
TL;DR: 2,3-Secocholestan-2,3-dioic acid (CAS 1178-00-3) is a chemical compound with molecular formula C27H46O4 and molecular weight 434.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3aR,5aR,6S,7S,9aR,9bS)-6-(2-methoxy-2-oxoethyl)-3a-methyl-3-(6-methylheptan-2-yl)-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-7-yl]acetic acid
Also Known As: Seco-CDA, 2,3-Secocholestan-2,3-dioic acid, 2,3-Seco-5alpha-cholestan-2,3-dioic acid, 2,3-Secocholestane-2,3-dioic acid, (5beta)-, 2,3-seco-5 alpha-cholestan-2,3-dioic acid
| Molecular Formula | C27H46O4 |
|---|---|
| Molecular Weight | 434.34 g/mol |
| LogP | 6.5715 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.3396 |
| Heavy Atoms | 31 |
| Complexity | 628.72595 |
Chemical Identifiers
| CAS Number | 1178-00-3 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]([C@@H]3CC(=O)OC)CC(=O)O)C |
Product Overview
2,3-Secocholestan-2,3-dioic acid (CAS 1178-00-3), with molecular formula C27H46O4 and molecular weight 434.34 g/mol. IUPAC: 2-[(3aR,5aR,6S,7S,9aR,9bS)-6-(2-methoxy-2-oxoethyl)-3a-methyl-3-(6-methylheptan-2-yl)-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-7-yl]acetic acid.
Chemical Property Profile of 2,3-Secocholestan-2,3-dioic acid
Property Insights of 2,3-Secocholestan-2,3-dioic acid
The XLogP value of 6.5715 indicates that 2,3-Secocholestan-2,3-dioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Secocholestan-2,3-dioic acid. Following Lipinski's Rule of Five, 2,3-Secocholestan-2,3-dioic acid has 1 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 2,3-Secocholestan-2,3-dioic acid?
The CAS number of 2,3-Secocholestan-2,3-dioic acid is 1178-00-3.
What is the molecular formula of 2,3-Secocholestan-2,3-dioic acid?
The molecular formula of 2,3-Secocholestan-2,3-dioic acid is C27H46O4.
What is the molecular weight of 2,3-Secocholestan-2,3-dioic acid?
The molecular weight of 2,3-Secocholestan-2,3-dioic acid is 434.34 g/mol.
Where can I buy 2,3-Secocholestan-2,3-dioic acid?
You can request a quote for 2,3-Secocholestan-2,3-dioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Secocholestan-2,3-dioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Secocholestan-2,3-dioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.