牛磺硒胆酸Se-75
TL;DR: 牛磺硒胆酸Se-75 (CAS 75018-70-1) is a chemical compound with molecular formula C26H45NO7SSe and molecular weight 590.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
牛磺硒胆酸Se-75
2-[[2-[(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl](75Se)selanylacetyl]amino]ethanesulfonic acid
Also Known As: tauroselcholic acid se-75, Se-Hcat, Tauroselcholic acid, Se(75)Hcat, selenium (75Se) tauroselcholic acid
| Molecular Formula | C26H45NO7SSe |
|---|---|
| Molecular Weight | 590.21 g/mol |
| LogP | 2.1287 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 590.2142 |
| Heavy Atoms | 36 |
| Complexity | 912.0 |
Chemical Identifiers
| CAS Number | 75018-70-1 |
|---|---|
| SMILES | C[C@H](C[75Se]CC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChIKey | JCMLWGQJPSGGEI-DJQDYNOGSA-N |
Product Overview
牛磺硒胆酸Se-75 (CAS 75018-70-1), with molecular formula C26H45NO7SSe and molecular weight 590.21 g/mol. IUPAC: 2-[[2-[(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl](75Se)selanylacetyl]amino]ethanesulfonic acid.
Chemical Property Profile of 牛磺硒胆酸Se-75
Property Insights of 牛磺硒胆酸Se-75
The XLogP value of 2.1287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 牛磺硒胆酸Se-75. The TPSA of 153.0 Ų indicates high polarity, suggesting 牛磺硒胆酸Se-75 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 牛磺硒胆酸Se-75 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 牛磺硒胆酸Se-75?
The CAS number of 牛磺硒胆酸Se-75 is 75018-70-1.
What is the molecular formula of 牛磺硒胆酸Se-75?
The molecular formula of 牛磺硒胆酸Se-75 is C26H45NO7SSe.
What is the molecular weight of 牛磺硒胆酸Se-75?
The molecular weight of 牛磺硒胆酸Se-75 is 590.21 g/mol.
Where can I buy 牛磺硒胆酸Se-75?
You can request a quote for 牛磺硒胆酸Se-75 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 牛磺硒胆酸Se-75?
Yes, KEHONG BIO provides custom synthesis services for 牛磺硒胆酸Se-75 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.