6-acetoxyhexanoyl chloride
TL;DR: 6-acetoxyhexanoyl chloride (CAS 533919-70-9) is a chemical compound with molecular formula C24H20N4O4S and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-3-nitrobenzamide
Also Known As: 6-acetoxyhexanoyl chloride, N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-3-nitrobenzamide, N-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-4-methyl-3-nitrobenzamide, N-[[2-(3,4-DIMETHYLPHENYL)BENZO[D]OXAZOL-5-YL]THIOCARBAMOYL]-4-METHYL-3-NITRO-BENZAMIDE, N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-4-methyl-3-nitrobenzamide
| Molecular Formula | C24H20N4O4S |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 5.45506 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.1205 |
| Heavy Atoms | 33 |
| Complexity | 1427.5092 |
Chemical Identifiers
| CAS Number | 533919-70-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C |
Product Overview
6-acetoxyhexanoyl chloride (CAS 533919-70-9), with molecular formula C24H20N4O4S and molecular weight 460.12 g/mol. IUPAC: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of 6-acetoxyhexanoyl chloride
Property Insights of 6-acetoxyhexanoyl chloride
The XLogP value of 5.45506 indicates that 6-acetoxyhexanoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-acetoxyhexanoyl chloride. Following Lipinski's Rule of Five, 6-acetoxyhexanoyl chloride 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 6-acetoxyhexanoyl chloride?
The CAS number of 6-acetoxyhexanoyl chloride is 533919-70-9.
What is the molecular formula of 6-acetoxyhexanoyl chloride?
The molecular formula of 6-acetoxyhexanoyl chloride is C24H20N4O4S.
What is the molecular weight of 6-acetoxyhexanoyl chloride?
The molecular weight of 6-acetoxyhexanoyl chloride is 460.12 g/mol.
Where can I buy 6-acetoxyhexanoyl chloride?
You can request a quote for 6-acetoxyhexanoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-acetoxyhexanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 6-acetoxyhexanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.