1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)-
TL;DR: 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)- (CAS 73713-82-3) is a chemical compound with molecular formula C14H14NO2PS and molecular weight 291.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(4-methylphenoxy)-1,3,2λ5-benzothiazaphosphole 2-oxide
Also Known As: KST-1B8449, 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)-, 3-methyl-2-(4-methylphenoxy)-1,3,2, 1,3,2-Benzothiazaphosphole, 2,3-dihydro-3-methyl-2-(4-methylphenoxy)-, 2-oxide, 1,3,2-Benzothiazaphosphole, 2,3-dihydro-3-methyl-2-(p-tolyloxy)-, 2-oxide
| Molecular Formula | C14H14NO2PS |
|---|---|
| Molecular Weight | 291.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.04828 |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 73713-82-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OP2(=O)N(C3=CC=CC=C3S2)C |
| InChIKey | LAFKFTRWYOENHB-UHFFFAOYSA-N |
Product Overview
1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)- (CAS 73713-82-3), with molecular formula C14H14NO2PS and molecular weight 291.05 g/mol. IUPAC: 3-methyl-2-(4-methylphenoxy)-1,3,2λ5-benzothiazaphosphole 2-oxide.
Chemical Property Profile of 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)-
Property Insights of 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)-
The XLogP value of 3.7 indicates that 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)- 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 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)-?
The CAS number of 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)- is 73713-82-3.
What is the molecular formula of 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)-?
The molecular formula of 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)- is C14H14NO2PS.
What is the molecular weight of 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)-?
The molecular weight of 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)- is 291.05 g/mol.
Where can I buy 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)-?
You can request a quote for 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Benzothiazaphosphorine, 3-methyl-2-(p-tolyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.