Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate
TL;DR: Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate (CAS 105532-77-2) is a chemical compound with molecular formula C11H12Cl5NO3S and molecular weight 412.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate
Also Known As: Homocysteine,N-acetyl-S-(1,2,3,4,4-pentachloro-1,3-butadien-1-yl)-, methyl ester, DL-Homocysteine, N-acetyl-S-(1,2,3,4,4-pentachloro-1,3-butadien-1-yl)-, methyl ester, N-Acetyl-S-(1,2,3,4,4-pentachloro-1,3-butadien-1-yl)-DL-homocysteine methyl ester
| Molecular Formula | C11H12Cl5NO3S |
|---|---|
| Molecular Weight | 412.90 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.89804 |
| Heavy Atoms | 21 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 105532-77-2 |
|---|---|
| SMILES | CC(=O)NC(CCSC(=C(C(=C(Cl)Cl)Cl)Cl)Cl)C(=O)OC |
| InChIKey | HRDOJMASWGCISH-UHFFFAOYSA-N |
Product Overview
Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate (CAS 105532-77-2), with molecular formula C11H12Cl5NO3S and molecular weight 412.90 g/mol. IUPAC: methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate.
Chemical Property Profile of Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate
Property Insights of Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate
The XLogP value of 4.4 indicates that Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate. Following Lipinski's Rule of Five, Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate has 1 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 Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate?
The CAS number of Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate is 105532-77-2.
What is the molecular formula of Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate?
The molecular formula of Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate is C11H12Cl5NO3S.
What is the molecular weight of Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate?
The molecular weight of Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate is 412.90 g/mol.
Where can I buy Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate?
You can request a quote for Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetamido-4-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.