3-硫酸甘鹅脱氧胆酸盐
TL;DR: 3-硫酸甘鹅脱氧胆酸盐 (CAS 67030-54-0) is a chemical compound with molecular formula C26H43NO8S and molecular weight 529.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硫酸甘鹅脱氧胆酸盐
2-[[(4R)-4-[(3R,5R,7R,10S,13R)-7-hydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Also Known As: GCDCS, Glycochenodeoxycholate-3-sulfate, N-[7,24-Dihydroxy-3-(sulfooxy)cholan-24-ylidene]glycine, Glycine, N-((3alpha,5beta,7alpha)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl)-, 2-[[(4R)-4-[(3R,5R,7R,10S,13R)-7-hydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
| Molecular Formula | C26H43NO8S |
|---|---|
| Molecular Weight | 529.27 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.27094 |
| Heavy Atoms | 36 |
| Complexity | 950.0 |
Chemical Identifiers
| CAS Number | 67030-54-0 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCC(=O)O)C1CCC2[C@@]1(CCC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)C |
| InChIKey | DKXXSIJHWWVNMO-RJVKTHQKSA-N |
Product Overview
3-硫酸甘鹅脱氧胆酸盐 (CAS 67030-54-0), with molecular formula C26H43NO8S and molecular weight 529.27 g/mol. IUPAC: 2-[[(4R)-4-[(3R,5R,7R,10S,13R)-7-hydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid.
Chemical Property Profile of 3-硫酸甘鹅脱氧胆酸盐
Property Insights of 3-硫酸甘鹅脱氧胆酸盐
The XLogP value of 3.9 indicates that 3-硫酸甘鹅脱氧胆酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting 3-硫酸甘鹅脱氧胆酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-硫酸甘鹅脱氧胆酸盐 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-硫酸甘鹅脱氧胆酸盐?
The CAS number of 3-硫酸甘鹅脱氧胆酸盐 is 67030-54-0.
What is the molecular formula of 3-硫酸甘鹅脱氧胆酸盐?
The molecular formula of 3-硫酸甘鹅脱氧胆酸盐 is C26H43NO8S.
What is the molecular weight of 3-硫酸甘鹅脱氧胆酸盐?
The molecular weight of 3-硫酸甘鹅脱氧胆酸盐 is 529.27 g/mol.
Where can I buy 3-硫酸甘鹅脱氧胆酸盐?
You can request a quote for 3-硫酸甘鹅脱氧胆酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硫酸甘鹅脱氧胆酸盐?
Yes, KEHONG BIO provides custom synthesis services for 3-硫酸甘鹅脱氧胆酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.