(4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
TL;DR: (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate (CAS 445385-87-5) is a chemical compound with molecular formula C12H14BrN3S and molecular weight 311.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
Also Known As: 4-bromobenzyl N'-cyano-N-isopropylimidothiocarbamate, 4-bromobenzyl N'-cyano-N-isopropylcarbamimidothioate, (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate, AM-807/14961047, (Z)-4-bromobenzyl N'-cyano-N-isopropylcarbamimidothioate
| Molecular Formula | C12H14BrN3S |
|---|---|
| Molecular Weight | 311.01 g/mol |
| LogP | 3.51738 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0092 |
| Heavy Atoms | 17 |
| Complexity | 420.37204 |
Chemical Identifiers
| CAS Number | 445385-87-5 |
|---|---|
| SMILES | CC(C)N=C(NC#N)SCC1=CC=C(C=C1)Br |
Product Overview
(4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate (CAS 445385-87-5), with molecular formula C12H14BrN3S and molecular weight 311.01 g/mol. IUPAC: (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate.
Chemical Property Profile of (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
Property Insights of (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
The XLogP value of 3.51738 indicates that (4-bromophenyl)methyl N-cyano-N'-propan-2-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, (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-bromophenyl)methyl N-cyano-N'-propan-2-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 (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
The CAS number of (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate is 445385-87-5.
What is the molecular formula of (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
The molecular formula of (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate is C12H14BrN3S.
What is the molecular weight of (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
The molecular weight of (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate is 311.01 g/mol.
Where can I buy (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
You can request a quote for (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.