五氯苯基硫醚尿酸
TL;DR: 五氯苯基硫醚尿酸 (CAS 69954-66-1) is a chemical compound with molecular formula C11H8Cl5NO3S and molecular weight 408.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五氯苯基硫醚尿酸
(2R)-2-acetamido-3-(2,3,4,5,6-pentachlorophenyl)sulfanylpropanoic acid
Also Known As: Pentachlorophenylmercapturic acid, N-Acetyl-S-(pentachlorophenyl)-L-cysteine, N-Acetyl-S-(pentachlorophenyl)cysteine, pentachlorophenylmercapturicacid, L-Cysteine, N-acetyl-S-(pentachlorophenyl)-
| Molecular Formula | C11H8Cl5NO3S |
|---|---|
| Molecular Weight | 408.87 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.86676 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 69954-66-1 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | CXDOSRKBOPYXSZ-BYPYZUCNSA-N |
Product Overview
五氯苯基硫醚尿酸 (CAS 69954-66-1), with molecular formula C11H8Cl5NO3S and molecular weight 408.87 g/mol. IUPAC: (2R)-2-acetamido-3-(2,3,4,5,6-pentachlorophenyl)sulfanylpropanoic acid.
Chemical Property Profile of 五氯苯基硫醚尿酸
Property Insights of 五氯苯基硫醚尿酸
The XLogP value of 4.5 indicates that 五氯苯基硫醚尿酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 五氯苯基硫醚尿酸. Following Lipinski's Rule of Five, 五氯苯基硫醚尿酸 has 2 hydrogen bond donor(s) and 4 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 五氯苯基硫醚尿酸?
The CAS number of 五氯苯基硫醚尿酸 is 69954-66-1.
What is the molecular formula of 五氯苯基硫醚尿酸?
The molecular formula of 五氯苯基硫醚尿酸 is C11H8Cl5NO3S.
What is the molecular weight of 五氯苯基硫醚尿酸?
The molecular weight of 五氯苯基硫醚尿酸 is 408.87 g/mol.
Where can I buy 五氯苯基硫醚尿酸?
You can request a quote for 五氯苯基硫醚尿酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五氯苯基硫醚尿酸?
Yes, KEHONG BIO provides custom synthesis services for 五氯苯基硫醚尿酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.