RefChem:371230
TL;DR: RefChem:371230 (CAS 51486-56-7) is a chemical compound with molecular formula C7H13O3PS and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-yl-1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane
Also Known As: 4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide, Phosphorothioic acid, cyclic O,O,O-ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol, 4-propan-2-yl-1-sulfanylidene-2,6,7-trioxa-1, 1,3-Propanediol, 2-(hydroxymethyl)-2-isopropyl-, cyclic phosphorothioate (1:1), 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(1-methylethyl)-, 1-sulfide
| Molecular Formula | C7H13O3PS |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.0323 |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 51486-56-7 |
|---|---|
| SMILES | CC(C)C12COP(=S)(OC1)OC2 |
| InChIKey | FVYOWJAKNCNKPR-UHFFFAOYSA-N |
Product Overview
RefChem:371230 (CAS 51486-56-7), with molecular formula C7H13O3PS and molecular weight 208.03 g/mol. IUPAC: 4-propan-2-yl-1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:371230
Property Insights of RefChem:371230
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371230. With a topological polar surface area (TPSA) of 59.8 Ų, RefChem:371230 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:371230 has 0 hydrogen bond donor(s) and 4 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 RefChem:371230?
The CAS number of RefChem:371230 is 51486-56-7.
What is the molecular formula of RefChem:371230?
The molecular formula of RefChem:371230 is C7H13O3PS.
What is the molecular weight of RefChem:371230?
The molecular weight of RefChem:371230 is 208.03 g/mol.
Where can I buy RefChem:371230?
You can request a quote for RefChem:371230 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371230?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.