牛磺熊脫氧膽酸
TL;DR: 牛磺熊脫氧膽酸 (CAS 516-50-7) is a chemical compound with molecular formula C26H45NO6S and molecular weight 499.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
牛磺熊脫氧膽酸
2-[4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
Also Known As: Taurodeoxycholate, Deoxycholyltaurine, TAURODEOXYCHOLIC ACID, Taurine Deoxycholate, SODIUM TAURODEOXYCHOLATE
| Molecular Formula | C26H45NO6S |
|---|---|
| Molecular Weight | 499.30 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.29675 |
| Heavy Atoms | 34 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 516-50-7 |
|---|---|
| SMILES | CC(CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChIKey | AWDRATDZQPNJFN-DLYTVZRCSA-N |
Product Overview
牛磺熊脫氧膽酸 (CAS 516-50-7), with molecular formula C26H45NO6S and molecular weight 499.30 g/mol. IUPAC: 2-[4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid.
Chemical Property Profile of 牛磺熊脫氧膽酸
Property Insights of 牛磺熊脫氧膽酸
The XLogP value of 3.6 indicates that 牛磺熊脫氧膽酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 牛磺熊脫氧膽酸. Following Lipinski's Rule of Five, 牛磺熊脫氧膽酸 has 4 hydrogen bond donor(s) and 6 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 牛磺熊脫氧膽酸?
The CAS number of 牛磺熊脫氧膽酸 is 516-50-7.
What is the molecular formula of 牛磺熊脫氧膽酸?
The molecular formula of 牛磺熊脫氧膽酸 is C26H45NO6S.
What is the molecular weight of 牛磺熊脫氧膽酸?
The molecular weight of 牛磺熊脫氧膽酸 is 499.30 g/mol.
Where can I buy 牛磺熊脫氧膽酸?
You can request a quote for 牛磺熊脫氧膽酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 牛磺熊脫氧膽酸?
Yes, KEHONG BIO provides custom synthesis services for 牛磺熊脫氧膽酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.