N-benzothiazol-2-yl-4-chlorobutanamide
TL;DR: N-benzothiazol-2-yl-4-chlorobutanamide (CAS 81093-55-2) is a chemical compound with molecular formula C11H11ClN2OS and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-4-chlorobutanamide
Also Known As: N-benzothiazol-2-yl-4-chlorobutanamide, N-(benzo[d]thiazol-2-yl)-4-chloro-butanamide, N-(benzo[d]thiazol-2-yl)-4-chlorobutanamide, N-(1,3-benzothiazol-2-yl)-4-chlorobutanamide, N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-4-chlorobutanamide
| Molecular Formula | C11H11ClN2OS |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 3.2538 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.02806 |
| Heavy Atoms | 16 |
| Complexity | 464.44516 |
Chemical Identifiers
| CAS Number | 81093-55-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCCl |
Product Overview
N-benzothiazol-2-yl-4-chlorobutanamide (CAS 81093-55-2), with molecular formula C11H11ClN2OS and molecular weight 254.03 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-4-chlorobutanamide.
Chemical Property Profile of N-benzothiazol-2-yl-4-chlorobutanamide
Property Insights of N-benzothiazol-2-yl-4-chlorobutanamide
The XLogP value of 3.2538 indicates that N-benzothiazol-2-yl-4-chlorobutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, N-benzothiazol-2-yl-4-chlorobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzothiazol-2-yl-4-chlorobutanamide 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 N-benzothiazol-2-yl-4-chlorobutanamide?
The CAS number of N-benzothiazol-2-yl-4-chlorobutanamide is 81093-55-2.
What is the molecular formula of N-benzothiazol-2-yl-4-chlorobutanamide?
The molecular formula of N-benzothiazol-2-yl-4-chlorobutanamide is C11H11ClN2OS.
What is the molecular weight of N-benzothiazol-2-yl-4-chlorobutanamide?
The molecular weight of N-benzothiazol-2-yl-4-chlorobutanamide is 254.03 g/mol.
Where can I buy N-benzothiazol-2-yl-4-chlorobutanamide?
You can request a quote for N-benzothiazol-2-yl-4-chlorobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzothiazol-2-yl-4-chlorobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzothiazol-2-yl-4-chlorobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.