benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate
TL;DR: benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate (CAS 90127-28-9) is a chemical compound with molecular formula C13H16N2OS2 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate
Also Known As: benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate, benzyl N-[(Z)-4-oxopentan-2-ylideneamino]carbamodithioate
| Molecular Formula | C13H16N2OS2 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.1493 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.0704 |
| Heavy Atoms | 18 |
| Complexity | 443.56427 |
Chemical Identifiers
| CAS Number | 90127-28-9 |
|---|---|
| SMILES | CC(=NNC(=S)SCC1=CC=CC=C1)CC(=O)C |
Product Overview
benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate (CAS 90127-28-9), with molecular formula C13H16N2OS2 and molecular weight 280.07 g/mol. IUPAC: benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate.
Chemical Property Profile of benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate
Property Insights of benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate
The XLogP value of 3.1493 indicates that benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.46 Ų, benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate has 1 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 benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate?
The CAS number of benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate is 90127-28-9.
What is the molecular formula of benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate?
The molecular formula of benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate is C13H16N2OS2.
What is the molecular weight of benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate?
The molecular weight of benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate is 280.07 g/mol.
Where can I buy benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate?
You can request a quote for benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-(4-oxopentan-2-ylideneamino)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.