RefChem:1065031
TL;DR: RefChem:1065031 (CAS 77407-70-6) is a chemical compound with molecular formula C19H17N5OS and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-3-benzyl-2-(phthalazin-1-ylhydrazinylidene)-1,3-thiazinan-4-one
Also Known As: 2H-1,3-Thiazine-2,4(3H)-dione, dihydro-3-(phenylmethyl)-, 2-(1-phthalazinylhydrazone), 3-(Phenylmethyl)-2H-1,3-dihydrothiazine-2,4(3H)-dione 2-(1-phthalazinylhydrazone), RefChem:1065031
| Molecular Formula | C19H17N5OS |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 3.4784 |
| Topological Polar Surface Area | 70.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.1154 |
| Heavy Atoms | 26 |
| Complexity | 955.0654 |
Chemical Identifiers
| CAS Number | 77407-70-6 |
|---|---|
| SMILES | C1CS/C(=N/NC2=NN=CC3=CC=CC=C32)/N(C1=O)CC4=CC=CC=C4 |
Product Overview
RefChem:1065031 (CAS 77407-70-6), with molecular formula C19H17N5OS and molecular weight 363.12 g/mol. IUPAC: (2E)-3-benzyl-2-(phthalazin-1-ylhydrazinylidene)-1,3-thiazinan-4-one.
Chemical Property Profile of RefChem:1065031
Property Insights of RefChem:1065031
The XLogP value of 3.4784 indicates that RefChem:1065031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.48 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065031. Following Lipinski's Rule of Five, RefChem:1065031 has 1 hydrogen bond donor(s) and 6 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 RefChem:1065031?
The CAS number of RefChem:1065031 is 77407-70-6.
What is the molecular formula of RefChem:1065031?
The molecular formula of RefChem:1065031 is C19H17N5OS.
What is the molecular weight of RefChem:1065031?
The molecular weight of RefChem:1065031 is 363.12 g/mol.
Where can I buy RefChem:1065031?
You can request a quote for RefChem:1065031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065031?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.