2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide
TL;DR: 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide (CAS 3183-33-3) is a chemical compound with molecular formula C11H20Cl2N2O2S and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide
Also Known As: 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide, N~2~-Acetyl-N,N-bis(2-chloroethyl)methioninamide, 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamid, BUTANAMIDE,2-(ACETYLAMINO)-N,N-BIS(2-CHLOROETHYL)-4-(METHYLTHIO)-
| Molecular Formula | C11H20Cl2N2O2S |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 314.06226 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 3183-33-3 |
|---|---|
| SMILES | CC(=O)NC(CCSC)C(=O)N(CCCl)CCCl |
| InChIKey | ARQGMTIGMDIVTK-UHFFFAOYSA-N |
Product Overview
2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide (CAS 3183-33-3), with molecular formula C11H20Cl2N2O2S and molecular weight 314.06 g/mol. IUPAC: 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide.
Chemical Property Profile of 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide
Property Insights of 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide. Following Lipinski's Rule of Five, 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide has 1 hydrogen bond donor(s) and 3 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 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide?
The CAS number of 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide is 3183-33-3.
What is the molecular formula of 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide?
The molecular formula of 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide is C11H20Cl2N2O2S.
What is the molecular weight of 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide?
The molecular weight of 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide is 314.06 g/mol.
Where can I buy 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide?
You can request a quote for 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.