Ochratoxin tc
TL;DR: Ochratoxin tc (CAS 5399-48-4) is a chemical compound with molecular formula C22H22ClNO7 and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate
Also Known As: Ochratoxin tc, ethyl (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate, ethyl (5-chloro-8-hydroxy-3-methyl-1-oxoisochromane-7-carbonyl)-L-tyrosinate, ethyl n-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1h-isochromen-7-yl)carbonyl]-l-tyrosinate, 5-Chloro-N-[(2S)-1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboximidic acid
| Molecular Formula | C22H22ClNO7 |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.1085 |
| Heavy Atoms | 31 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 5399-48-4 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=CC(=C3CC(OC(=O)C3=C2O)C)Cl |
| InChIKey | JVDWOALSRIJPOP-KLLZUTDZSA-N |
Product Overview
Ochratoxin tc (CAS 5399-48-4), with molecular formula C22H22ClNO7 and molecular weight 447.11 g/mol. IUPAC: ethyl (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of Ochratoxin tc
Property Insights of Ochratoxin tc
The XLogP value of 5.1 indicates that Ochratoxin tc is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ochratoxin tc. Following Lipinski's Rule of Five, Ochratoxin tc has 3 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 Ochratoxin tc?
The CAS number of Ochratoxin tc is 5399-48-4.
What is the molecular formula of Ochratoxin tc?
The molecular formula of Ochratoxin tc is C22H22ClNO7.
What is the molecular weight of Ochratoxin tc?
The molecular weight of Ochratoxin tc is 447.11 g/mol.
Where can I buy Ochratoxin tc?
You can request a quote for Ochratoxin tc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ochratoxin tc?
Yes, KEHONG BIO provides custom synthesis services for Ochratoxin tc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.