2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide
TL;DR: 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide (CAS 67590-59-4) is a chemical compound with molecular formula C7H14NO2PS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-7-methyl-1-sulfanylidene-2,6-dioxa-7-aza-1λ5-phosphabicyclo[2.2.2]octane
Also Known As: 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide, 4-Ethyl-7-methyl-7-aza-2,6-dioxa-1-phosphabicyclo(2.2.2)octane, 1-sulfide, 4-ethyl-7-methyl-1-sulfanylidene-2,6-dioxa-7-aza-1, 4-Ethyl-7-methyl-7-aza-2,6-dioxa-1-phosphabicyclo[2.2.2]octane1-sulfide, {4-ethyl-7-methyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.2]octan-1-ium-1-yl}sulfanide
| Molecular Formula | C7H14NO2PS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.5995 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.0483 |
| Heavy Atoms | 12 |
| Complexity | 233.56088 |
Chemical Identifiers
| CAS Number | 67590-59-4 |
|---|---|
| SMILES | CCC12CN(P(=S)(OC1)OC2)C |
Product Overview
2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide (CAS 67590-59-4), with molecular formula C7H14NO2PS and molecular weight 207.05 g/mol. IUPAC: 4-ethyl-7-methyl-1-sulfanylidene-2,6-dioxa-7-aza-1λ5-phosphabicyclo[2.2.2]octane.
Chemical Property Profile of 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide
Property Insights of 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide
The XLogP value of 1.5995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide. With a topological polar surface area (TPSA) of 21.7 Ų, 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide has 0 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 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide?
The CAS number of 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide is 67590-59-4.
What is the molecular formula of 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide?
The molecular formula of 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide is C7H14NO2PS.
What is the molecular weight of 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide?
The molecular weight of 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide is 207.05 g/mol.
Where can I buy 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide?
You can request a quote for 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Aza-6,7-dioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-7-methyl-, 1-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.