Deoxycholyltyrosine
TL;DR: Deoxycholyltyrosine (CAS 103528-66-1) is a chemical compound with molecular formula C33H49NO6 and molecular weight 555.356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(4R)-4-[(3R,5R,10S,12S,13R,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]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Also Known As: Deoxycholyltyrosine, (2S)-2-[[(4R)-4-[(3R,5R,10S,12S,13R,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]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid, N-(3,12,24-Trihydroxycholan-24-ylidene)tyrosine, N-[(8xi,9xi,14xi)-3alpha,12alpha,24-Trihydroxy-5beta-cholan-24-ylidene]-L-tyrosine
Technical Specifications
| Molecular Formula | C33H49NO6 |
| Molecular Weight | 555.356 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 555.356 Da |
| Heavy Atoms | 40 |
| Complexity | 919.0 |
| SMILES | C[C@H](CCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)[C@H]2CCC3[C@@]2([C@H](CC4C3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C |
| InChIKey | NABZNAJLBCRTJM-LGNREMODSA-N |
Chemical Property Profile of Deoxycholyltyrosine
Property Insights of Deoxycholyltyrosine
The XLogP value of 5.9 indicates that Deoxycholyltyrosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxycholyltyrosine. Following Lipinski's Rule of Five, Deoxycholyltyrosine has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Deoxycholyltyrosine?
The CAS number of Deoxycholyltyrosine is 103528-66-1.
What is the molecular formula of Deoxycholyltyrosine?
The molecular formula of Deoxycholyltyrosine is C33H49NO6.
What is the molecular weight of Deoxycholyltyrosine?
The molecular weight of Deoxycholyltyrosine is 555.356 g/mol.
Where can I buy Deoxycholyltyrosine?
You can request a quote for Deoxycholyltyrosine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Deoxycholyltyrosine?
Yes, CoreyChem provides custom synthesis services for Deoxycholyltyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.