钙三醇酸
TL;DR: 钙三醇酸 (CAS 71204-89-2) is a chemical compound with molecular formula C23H34O4 and molecular weight 374.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
钙三醇酸
(3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid
Also Known As: Calcitroic acid, (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid, 1,3-dihydroxy-(1a,3b,5Z,7E)- 24-nor-9,10-secochola-5,7,10(19)-trien-23-oic acid, (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid, 3-{4-[2-(3,5-Dihydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahydro-inden-1-yl}-butyric acid
| Molecular Formula | C23H34O4 |
|---|---|
| Molecular Weight | 374.25 g/mol |
| LogP | 4.2382 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.2457 |
| Heavy Atoms | 27 |
| Complexity | 661.2895 |
Chemical Identifiers
| CAS Number | 71204-89-2 |
|---|---|
| SMILES | C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C |
Product Overview
钙三醇酸 (CAS 71204-89-2), with molecular formula C23H34O4 and molecular weight 374.25 g/mol. IUPAC: (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid.
Chemical Property Profile of 钙三醇酸
Property Insights of 钙三醇酸
The XLogP value of 4.2382 indicates that 钙三醇酸 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 钙三醇酸. Following Lipinski's Rule of Five, 钙三醇酸 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 钙三醇酸?
The CAS number of 钙三醇酸 is 71204-89-2.
What is the molecular formula of 钙三醇酸?
The molecular formula of 钙三醇酸 is C23H34O4.
What is the molecular weight of 钙三醇酸?
The molecular weight of 钙三醇酸 is 374.25 g/mol.
Where can I buy 钙三醇酸?
You can request a quote for 钙三醇酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 钙三醇酸?
Yes, KEHONG BIO provides custom synthesis services for 钙三醇酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.