A1451/0064099
TL;DR: A1451/0064099 (CAS 339995-12-9) is a chemical compound with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
Also Known As: A1451/0064099, N'-[2-(benzyloxy)benzylidene]-2-(2-pyrimidinylsulfanyl)acetohydrazide, N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide, N'-[(E)-[2-(BENZYLOXY)PHENYL]METHYLIDENE]-2-(PYRIMIDIN-2-YLSULFANYL)ACETOHYDRAZIDE, N'-{(E)-[2-(benzyloxy)phenyl]methylidene}-2-(pyrimidin-2-ylsulfanyl)acetohydrazide
| Molecular Formula | C20H18N4O2S |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 3.298 |
| Topological Polar Surface Area | 76.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.11505 |
| Heavy Atoms | 27 |
| Complexity | 888.7532 |
Chemical Identifiers
| CAS Number | 339995-12-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)CSC3=NC=CC=N3 |
Product Overview
A1451/0064099 (CAS 339995-12-9), with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol. IUPAC: N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide.
Chemical Property Profile of A1451/0064099
Property Insights of A1451/0064099
The XLogP value of 3.298 indicates that A1451/0064099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.47 Ų falls within the moderate polarity range, balancing permeability and solubility for A1451/0064099. Following Lipinski's Rule of Five, A1451/0064099 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 A1451/0064099?
The CAS number of A1451/0064099 is 339995-12-9.
What is the molecular formula of A1451/0064099?
The molecular formula of A1451/0064099 is C20H18N4O2S.
What is the molecular weight of A1451/0064099?
The molecular weight of A1451/0064099 is 378.12 g/mol.
Where can I buy A1451/0064099?
You can request a quote for A1451/0064099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1451/0064099?
Yes, KEHONG BIO provides custom synthesis services for A1451/0064099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.