Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide
TL;DR: Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide (CAS 46863-19-8) is a chemical compound with molecular formula C14H13N2O2PS and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenyl-2-sulfanylidene-1,3-dihydro-1,3,2λ5-benzodiazaphosphole-5-carboxylate
Also Known As: NCIOpen2_009721, methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide, methyl 2-phenyl-2-sulfanylidene-1,3-dihydro-1,3,2, methyl 2-phenyl-2-sulfanylidene-1,3-dihydro-1,3,2lambda5-benzodia, 5-Methoxycarbonyl-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphol-2-sulfid
| Molecular Formula | C14H13N2O2PS |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.04355 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 46863-19-8 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)NP(=S)(N2)C3=CC=CC=C3 |
| InChIKey | GJEGKSNZXPPYOZ-UHFFFAOYSA-N |
Product Overview
Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide (CAS 46863-19-8), with molecular formula C14H13N2O2PS and molecular weight 304.04 g/mol. IUPAC: methyl 2-phenyl-2-sulfanylidene-1,3-dihydro-1,3,2λ5-benzodiazaphosphole-5-carboxylate.
Chemical Property Profile of Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide
Property Insights of Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide
The XLogP value of 4.3 indicates that Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide. Following Lipinski's Rule of Five, Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide has 2 hydrogen bond donor(s) and 5 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 Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide?
The CAS number of Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide is 46863-19-8.
What is the molecular formula of Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide?
The molecular formula of Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide is C14H13N2O2PS.
What is the molecular weight of Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide?
The molecular weight of Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide is 304.04 g/mol.
Where can I buy Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide?
You can request a quote for Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.