![4-[Bis(cyanomethyl)carbamoyl]phenyl acetate structure](/static/products/329/329930-56-5.png)
4-[Bis(cyanomethyl)carbamoyl]phenyl acetate
TL;DR: 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate (CAS 329930-56-5) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(cyanomethyl)carbamoyl]phenyl] acetate
Also Known As: 4-[bis(cyanomethyl)carbamoyl]phenyl acetate, [4-[bis(cyanomethyl)carbamoyl]phenyl] acetate, 4-(DICYANOMETHYLCARBAMOYL)PHENYL ACETATE, 4-[N,N-bis(cyanomethyl)carbamoyl]phenyl acetate
| Molecular Formula | C13H11N3O3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 94.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.08005 |
| Heavy Atoms | 19 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 329930-56-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(=O)N(CC#N)CC#N |
| InChIKey | PSKHAGIPWDLDHW-UHFFFAOYSA-N |
Product Overview
4-[Bis(cyanomethyl)carbamoyl]phenyl acetate (CAS 329930-56-5), with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol. IUPAC: [4-[bis(cyanomethyl)carbamoyl]phenyl] acetate.
Chemical Property Profile of 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate
Property Insights of 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate. Following Lipinski's Rule of Five, 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate has 0 hydrogen bond donor(s) and 5 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-[Bis(cyanomethyl)carbamoyl]phenyl acetate?
The CAS number of 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate is 329930-56-5.
What is the molecular formula of 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate?
The molecular formula of 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate is C13H11N3O3.
What is the molecular weight of 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate?
The molecular weight of 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate is 257.08 g/mol.
Where can I buy 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate?
You can request a quote for 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-[Bis(cyanomethyl)carbamoyl]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.