3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate
TL;DR: 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate (CAS 445385-75-1) is a chemical compound with molecular formula C12H12BrN3S and molecular weight 308.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate
Also Known As: 3-bromobenzyl N-allyl-N'-cyanoimidothiocarbamate, AM-807/14960973, (Z)-3-bromobenzyl N-allyl-N'-cyanocarbamimidothioate, 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate, (3-bromophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate
| Molecular Formula | C12H12BrN3S |
|---|---|
| Molecular Weight | 308.99 g/mol |
| LogP | 3.29498 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.99353 |
| Heavy Atoms | 17 |
| Complexity | 451.3091 |
Chemical Identifiers
| CAS Number | 445385-75-1 |
|---|---|
| SMILES | C=CCN=C(NC#N)SCC1=CC(=CC=C1)Br |
Product Overview
3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate (CAS 445385-75-1), with molecular formula C12H12BrN3S and molecular weight 308.99 g/mol. IUPAC: (3-bromophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate.
Chemical Property Profile of 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate
Property Insights of 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate
The XLogP value of 3.29498 indicates that 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.18 Ų, 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate has 1 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 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate?
The CAS number of 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate is 445385-75-1.
What is the molecular formula of 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate?
The molecular formula of 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate is C12H12BrN3S.
What is the molecular weight of 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate?
The molecular weight of 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate is 308.99 g/mol.
Where can I buy 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate?
You can request a quote for 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 3-bromobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.