![N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide structure](/static/products/831/831183-77-8.png)
N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide
TL;DR: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide (CAS 831183-77-8) is a chemical compound with molecular formula C15H20ClN3OS and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide
Also Known As: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide, AP-970/43012979, N-butyryl-N'-[3-chloro-2-(1-pyrrolidinyl)phenyl]thiourea, N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide, N-{[3-chloro-2-(pyrrolidin-1-yl)phenyl]carbamothioyl}butanamide
| Molecular Formula | C15H20ClN3OS |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 3.5533 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.10156 |
| Heavy Atoms | 21 |
| Complexity | 529.6501 |
Chemical Identifiers
| CAS Number | 831183-77-8 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=C(C(=CC=C1)Cl)N2CCCC2 |
Product Overview
N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide (CAS 831183-77-8), with molecular formula C15H20ClN3OS and molecular weight 325.10 g/mol. IUPAC: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide.
Chemical Property Profile of N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide
Property Insights of N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide
The XLogP value of 3.5533 indicates that N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide has 2 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 N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide?
The CAS number of N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide is 831183-77-8.
What is the molecular formula of N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide?
The molecular formula of N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide is C15H20ClN3OS.
What is the molecular weight of N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide?
The molecular weight of N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide is 325.10 g/mol.
Where can I buy N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide?
You can request a quote for N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.