![N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide structure](/static/products/7012/701221-06-9.webp)
N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide
TL;DR: N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide (CAS 701221-06-9) is a chemical compound with molecular formula C20H20ClN3O3S2 and molecular weight 449.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide
Also Known As: N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide, N-[2-({2-[(3-chloro-4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide, N-[2-[(3-chloro-4-methoxy-phenyl)carbamoylmethylsulfanyl]benzothiazol-6-yl]butanamide
| Molecular Formula | C20H20ClN3O3S2 |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | 5.4277 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.06348 |
| Heavy Atoms | 29 |
| Complexity | 1038.9834 |
Chemical Identifiers
| CAS Number | 701221-06-9 |
|---|---|
| SMILES | CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=C(C=C3)OC)Cl |
Product Overview
N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide (CAS 701221-06-9), with molecular formula C20H20ClN3O3S2 and molecular weight 449.06 g/mol. IUPAC: N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide.
Chemical Property Profile of N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide
Property Insights of N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide
The XLogP value of 5.4277 indicates that N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide. Following Lipinski's Rule of Five, N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide?
The CAS number of N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide is 701221-06-9.
What is the molecular formula of N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide?
The molecular formula of N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide is C20H20ClN3O3S2.
What is the molecular weight of N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide?
The molecular weight of N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide is 449.06 g/mol.
Where can I buy N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide?
You can request a quote for N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.