1,1-Bis-aethansulfonyl-2-methyl-octan
TL;DR: 1,1-Bis-aethansulfonyl-2-methyl-octan (CAS 7147-13-9) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyridin-4-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 1,1-Bis-aethansulfonyl-2-methyl-octan, NCI60_004109, 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[(4-pyridinylmethyl)amino]carbonyl]-, 2-(pyridin-4-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 2-(pyridin-4-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-en
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 7147-13-9 |
|---|---|
| SMILES | C1=CC2C(C(C1O2)C(=O)NCC3=CC=NC=C3)C(=O)O |
| InChIKey | NJOCHFDYBDTNNY-UHFFFAOYSA-N |
Product Overview
1,1-Bis-aethansulfonyl-2-methyl-octan (CAS 7147-13-9), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: 3-(pyridin-4-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 1,1-Bis-aethansulfonyl-2-methyl-octan
Property Insights of 1,1-Bis-aethansulfonyl-2-methyl-octan
The XLogP value of -0.6 indicates that 1,1-Bis-aethansulfonyl-2-methyl-octan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Bis-aethansulfonyl-2-methyl-octan. Following Lipinski's Rule of Five, 1,1-Bis-aethansulfonyl-2-methyl-octan has 2 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 1,1-Bis-aethansulfonyl-2-methyl-octan?
The CAS number of 1,1-Bis-aethansulfonyl-2-methyl-octan is 7147-13-9.
What is the molecular formula of 1,1-Bis-aethansulfonyl-2-methyl-octan?
The molecular formula of 1,1-Bis-aethansulfonyl-2-methyl-octan is C14H14N2O4.
What is the molecular weight of 1,1-Bis-aethansulfonyl-2-methyl-octan?
The molecular weight of 1,1-Bis-aethansulfonyl-2-methyl-octan is 274.10 g/mol.
Where can I buy 1,1-Bis-aethansulfonyl-2-methyl-octan?
You can request a quote for 1,1-Bis-aethansulfonyl-2-methyl-octan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis-aethansulfonyl-2-methyl-octan?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis-aethansulfonyl-2-methyl-octan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.