n-methanesulfonyl
TL;DR: n-methanesulfonyl (CAS 93501-65-6) is a chemical compound with molecular formula C7H19N2O3PS2 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-methylmethanesulfonamide
Also Known As: n-methanesulfonyl, Phosphorodiamidothioic acid, N,N'-dimethyl-N-(methylsulfonyl)-, S-(1-methylpropyl) ester, N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-methylmethanesulfonamide, N-(butan-2-ylsulfanyl-methylamino-phosphoryl)-N-methyl-methanesulfonamide, S-(Butan-2-yl) N-(methanesulfonyl)-N,N'-dimethylphosphorodiamidothioate
| Molecular Formula | C7H19N2O3PS2 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.05746 |
| Heavy Atoms | 15 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 93501-65-6 |
|---|---|
| SMILES | CCC(C)SP(=O)(NC)N(C)S(=O)(=O)C |
| InChIKey | ZPIJKCPQQBEQKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-methanesulfonyl (CAS 93501-65-6), with molecular formula C7H19N2O3PS2 and molecular weight 274.06 g/mol. IUPAC: N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-methylmethanesulfonamide.
Chemical Property Profile of n-methanesulfonyl
Property Insights of n-methanesulfonyl
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-methanesulfonyl. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-methanesulfonyl. Following Lipinski's Rule of Five, n-methanesulfonyl has 1 hydrogen bond donor(s) and 6 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-methanesulfonyl?
The CAS number of n-methanesulfonyl is 93501-65-6.
What is the molecular formula of n-methanesulfonyl?
The molecular formula of n-methanesulfonyl is C7H19N2O3PS2.
What is the molecular weight of n-methanesulfonyl?
The molecular weight of n-methanesulfonyl is 274.06 g/mol.
Where can I buy n-methanesulfonyl?
You can request a quote for n-methanesulfonyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-methanesulfonyl?
Yes, KEHONG BIO provides custom synthesis services for n-methanesulfonyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.