Isoallolithocholic Acid
TL;DR: Isoallolithocholic Acid (CAS 2276-93-9) is a chemical compound with molecular formula C24H40O3 and molecular weight 376.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: Isoallolithocholic acid, isoalloLCA, Isoallolithocholate, Alloisolithocholic acid, Isolithocholic acid
| Molecular Formula | C24H40O3 |
|---|---|
| Molecular Weight | 376.30 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.29776 |
| Heavy Atoms | 27 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 2276-93-9 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | SMEROWZSTRWXGI-XBESLWPFSA-N |
Product Overview
Isoallolithocholic Acid (CAS 2276-93-9), with molecular formula C24H40O3 and molecular weight 376.30 g/mol. IUPAC: (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of Isoallolithocholic Acid
Property Insights of Isoallolithocholic Acid
The XLogP value of 6.3 indicates that Isoallolithocholic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Isoallolithocholic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoallolithocholic 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 Isoallolithocholic Acid?
The CAS number of Isoallolithocholic Acid is 2276-93-9.
What is the molecular formula of Isoallolithocholic Acid?
The molecular formula of Isoallolithocholic Acid is C24H40O3.
What is the molecular weight of Isoallolithocholic Acid?
The molecular weight of Isoallolithocholic Acid is 376.30 g/mol.
Where can I buy Isoallolithocholic Acid?
You can request a quote for Isoallolithocholic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoallolithocholic Acid?
Yes, KEHONG BIO provides custom synthesis services for Isoallolithocholic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.