N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine
TL;DR: N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine (CAS 89784-39-4) is a chemical compound with molecular formula C9H8Cl5NO3S and molecular weight 384.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)propanoic acid
Also Known As: S-Pentachlorobutadienyl-N-acetylcysteine, N-Acetyl-S-pentachloro-1,3-butadienylcysteine, N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine
| Molecular Formula | C9H8Cl5NO3S |
|---|---|
| Molecular Weight | 384.87 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.8638 |
| Heavy Atoms | 19 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 89784-39-4 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSC(=C(C(=C(Cl)Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | HMFZXPFVUQXTHQ-BYPYZUCNSA-N |
Product Overview
N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine (CAS 89784-39-4), with molecular formula C9H8Cl5NO3S and molecular weight 384.87 g/mol. IUPAC: (2R)-2-acetamido-3-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)propanoic acid.
Chemical Property Profile of N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine
Property Insights of N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine
The XLogP value of 3.7 indicates that N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine 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 N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine. Following Lipinski's Rule of Five, N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine 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 N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine?
The CAS number of N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine is 89784-39-4.
What is the molecular formula of N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine?
The molecular formula of N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine is C9H8Cl5NO3S.
What is the molecular weight of N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine?
The molecular weight of N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine is 384.87 g/mol.
Where can I buy N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine?
You can request a quote for N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.