N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺
TL;DR: N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺 (CAS 26020-35-9) is a chemical compound with molecular formula C13H18ClNO3S and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺
N-(1-chloro-4-methyl-2-oxopentan-3-yl)-4-methylbenzenesulfonamide
Also Known As: N-Tosyl-L-valine chloromethyl ketone, N-(3-Chloro-1-isopropylacetonyl)-p-toluenesulfonamide, p-Toluenesulfonamide, N-(3-chloro-1-isopropylacetonyl)-, n-(1-chloro-4-methyl-2-oxopentan-3-yl)-4-methylbenzenesulfonamide, N-(1-Chloro-4-methyl-2-oxopentan-3-yl)-4-methylbenzene-1-sulfonamide
| Molecular Formula | C13H18ClNO3S |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.06958 |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 26020-35-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)CCl |
| InChIKey | NCKHHRVMFVHPET-UHFFFAOYSA-N |
Product Overview
N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺 (CAS 26020-35-9), with molecular formula C13H18ClNO3S and molecular weight 303.07 g/mol. IUPAC: N-(1-chloro-4-methyl-2-oxopentan-3-yl)-4-methylbenzenesulfonamide.
Chemical Property Profile of N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺
Property Insights of N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺
The XLogP value of 3.0 indicates that N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺. Following Lipinski's Rule of Five, N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺 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 N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺?
The CAS number of N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺 is 26020-35-9.
What is the molecular formula of N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺?
The molecular formula of N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺 is C13H18ClNO3S.
What is the molecular weight of N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺?
The molecular weight of N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺 is 303.07 g/mol.
Where can I buy N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺?
You can request a quote for N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(3-氯-1-异丙基丙酮基)-对甲苯磺酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.