2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide
TL;DR: 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide (CAS 63886-82-8) is a chemical compound with molecular formula C9H16ClO2PS and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-ethyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine
Also Known As: USAF K-1359, 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide, 3-Phosphabicyclo(4.4.0)decane, P-chloro-2,4-dioxa-5-ethyl-P-thiono-, P-Chloro-2,4-dioxa-5-ethyl-P-thiono-3-phosphabicyclo(4.4.0)decane, 4H-1,3,2-Benzodioxaphosphorin, 2-chloro-4-ethylhexahydro-, 2-sulfide
| Molecular Formula | C9H16ClO2PS |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 3.8339 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.02971 |
| Heavy Atoms | 14 |
| Complexity | 249.1965 |
Chemical Identifiers
| CAS Number | 63886-82-8 |
|---|---|
| SMILES | CCC1C2CCCCC2OP(=S)(O1)Cl |
Product Overview
2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide (CAS 63886-82-8), with molecular formula C9H16ClO2PS and molecular weight 254.03 g/mol. IUPAC: 2-chloro-4-ethyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine.
Chemical Property Profile of 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide
Property Insights of 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide
The XLogP value of 3.8339 indicates that 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-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-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide?
The CAS number of 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide is 63886-82-8.
What is the molecular formula of 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide?
The molecular formula of 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide is C9H16ClO2PS.
What is the molecular weight of 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide?
The molecular weight of 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide is 254.03 g/mol.
Where can I buy 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide?
You can request a quote for 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-ethylhexahydro-4H-1,3,2-benzodioxaphosphorin, 2-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.