氧硫杂环己烷甲酰苯胺
TL;DR: 氧硫杂环己烷甲酰苯胺 (CAS 135812-04-3) is a chemical compound with molecular formula C16H18ClNO4S and molecular weight 355.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氧硫杂环己烷甲酰苯胺
propan-2-yl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
Also Known As: Oxathiin carboxanilide, UC84, 1-methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate, NCI60_005031, Isopropyl 2-chloro-5-[(2-methyl-5,6-dihydro-1,4-oxathiin-3-carbonyl)amino]benzoate
| Molecular Formula | C16H18ClNO4S |
|---|---|
| Molecular Weight | 355.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.0645 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 135812-04-3 |
|---|---|
| SMILES | CC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C |
| InChIKey | FMQGUMRNTBJHEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氧硫杂环己烷甲酰苯胺 (CAS 135812-04-3), with molecular formula C16H18ClNO4S and molecular weight 355.06 g/mol. IUPAC: propan-2-yl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate.
Chemical Property Profile of 氧硫杂环己烷甲酰苯胺
Property Insights of 氧硫杂环己烷甲酰苯胺
The XLogP value of 3.4 indicates that 氧硫杂环己烷甲酰苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 氧硫杂环己烷甲酰苯胺. Following Lipinski's Rule of Five, 氧硫杂环己烷甲酰苯胺 has 1 hydrogen bond donor(s) and 5 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 氧硫杂环己烷甲酰苯胺?
The CAS number of 氧硫杂环己烷甲酰苯胺 is 135812-04-3.
What is the molecular formula of 氧硫杂环己烷甲酰苯胺?
The molecular formula of 氧硫杂环己烷甲酰苯胺 is C16H18ClNO4S.
What is the molecular weight of 氧硫杂环己烷甲酰苯胺?
The molecular weight of 氧硫杂环己烷甲酰苯胺 is 355.06 g/mol.
Where can I buy 氧硫杂环己烷甲酰苯胺?
You can request a quote for 氧硫杂环己烷甲酰苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氧硫杂环己烷甲酰苯胺?
Yes, KEHONG BIO provides custom synthesis services for 氧硫杂环己烷甲酰苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.