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Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide
TL;DR: Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide (CAS 262603-91-8) is a chemical compound with molecular formula C19H21N2OPS and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[azepan-1-yl(phenyl)phosphoryl]-1,3-benzothiazole
Also Known As: IFLab1_004100, 2-[(azepan-1-yl)(phenyl)phosphoroso]-1,3-benzothiazole, J1.265.683A, azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide, 2-[azepan-1-yl(phenyl)phosphoryl]-1,3-benzothiazole
| Molecular Formula | C19H21N2OPS |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | 4.4012 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.11124 |
| Heavy Atoms | 24 |
| Complexity | 836.2189 |
Chemical Identifiers
| CAS Number | 262603-91-8 |
|---|---|
| SMILES | C1CCCN(CC1)P(=O)(C2=CC=CC=C2)C3=NC4=CC=CC=C4S3 |
Product Overview
Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide (CAS 262603-91-8), with molecular formula C19H21N2OPS and molecular weight 356.11 g/mol. IUPAC: 2-[azepan-1-yl(phenyl)phosphoryl]-1,3-benzothiazole.
Chemical Property Profile of Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide
Property Insights of Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide
The XLogP value of 4.4012 indicates that Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide 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 Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide?
The CAS number of Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide is 262603-91-8.
What is the molecular formula of Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide?
The molecular formula of Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide is C19H21N2OPS.
What is the molecular weight of Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide?
The molecular weight of Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide is 356.11 g/mol.
Where can I buy Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide?
You can request a quote for Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl(benzo[d]thiazol-2-yl)(phenyl)phosphine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.