S-methyl O,O-dipropan-2-yl phosphorothioate
TL;DR: S-methyl O,O-dipropan-2-yl phosphorothioate (CAS 2597-80-0) is a chemical compound with molecular formula C22H30ClNO2 and molecular weight 375.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)propan-1-one;hydrochloride
Also Known As: S-methyl O,O-dipropan-2-yl phosphorothioate, 1-Propanone, 1-(2-(2-(diethylamino)ethoxy)phenyl)-3-(4-methylphenyl)-, hydrochloride, 1-(2-(2-(Diethylamino)ethoxy)phenyl)-3-(4-methylphenyl)-1-propanone hydrochloride, 1-{2-[2-(diethylamino)ethoxy]phenyl}-3-(4-methylphenyl)propan-1-one hydrochloride(1:1), 1-[2-(2-diethylaminoethyloxy)phenyl]-3-(4-methylphenyl)propan-1-one hydrochloride
| Molecular Formula | C22H30ClNO2 |
|---|---|
| Molecular Weight | 375.20 g/mol |
| LogP | 4.95292 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 375.1965 |
| Heavy Atoms | 26 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 2597-80-0 |
|---|---|
| SMILES | CCN(CC)CCOC1=CC=CC=C1C(=O)CCC2=CC=C(C=C2)C.Cl |
| InChIKey | ZGHRNEFBXPNEJD-UHFFFAOYSA-N |
Product Overview
S-methyl O,O-dipropan-2-yl phosphorothioate (CAS 2597-80-0), with molecular formula C22H30ClNO2 and molecular weight 375.20 g/mol. IUPAC: 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)propan-1-one;hydrochloride.
Chemical Property Profile of S-methyl O,O-dipropan-2-yl phosphorothioate
Property Insights of S-methyl O,O-dipropan-2-yl phosphorothioate
The XLogP value of 4.95292 indicates that S-methyl O,O-dipropan-2-yl phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, S-methyl O,O-dipropan-2-yl phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-methyl O,O-dipropan-2-yl phosphorothioate has 1 hydrogen bond donor(s) and 3 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 S-methyl O,O-dipropan-2-yl phosphorothioate?
The CAS number of S-methyl O,O-dipropan-2-yl phosphorothioate is 2597-80-0.
What is the molecular formula of S-methyl O,O-dipropan-2-yl phosphorothioate?
The molecular formula of S-methyl O,O-dipropan-2-yl phosphorothioate is C22H30ClNO2.
What is the molecular weight of S-methyl O,O-dipropan-2-yl phosphorothioate?
The molecular weight of S-methyl O,O-dipropan-2-yl phosphorothioate is 375.20 g/mol.
Where can I buy S-methyl O,O-dipropan-2-yl phosphorothioate?
You can request a quote for S-methyl O,O-dipropan-2-yl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-methyl O,O-dipropan-2-yl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for S-methyl O,O-dipropan-2-yl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.