Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester
TL;DR: Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester (CAS 39828-50-7) is a chemical compound with molecular formula C11H6N2Se2 and molecular weight 325.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyano-1-benzoselenophen-2-yl)methyl selenocyanate
Also Known As: (3-Cyano-1-benzoselenophen-2-yl)methyl selenocyanate, Selenocyanic acid, (3-cyanobenzo[b]selenophene-2-yl)methyl ester, (3-Cyano-1-benzoselenophen-2-yl)methyl selenocyanate #, 2-[(cyanoselanyl)methyl]-1-benzoselenophene-3-carbonitrile, Selenocyanic acid [3-cyanobenzo[b]selenophen-2-yl]methyl ester
| Molecular Formula | C11H6N2Se2 |
|---|---|
| Molecular Weight | 325.89 g/mol |
| LogP | 1.45376 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.88614 |
| Heavy Atoms | 15 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 39828-50-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C([Se]2)C[Se]C#N)C#N |
| InChIKey | RFVZADALHNKSRW-UHFFFAOYSA-N |
Product Overview
Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester (CAS 39828-50-7), with molecular formula C11H6N2Se2 and molecular weight 325.89 g/mol. IUPAC: (3-cyano-1-benzoselenophen-2-yl)methyl selenocyanate.
Chemical Property Profile of Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester
Property Insights of Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester
The XLogP value of 1.45376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester. With a topological polar surface area (TPSA) of 47.6 Ų, Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester has 0 hydrogen bond donor(s) and 2 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 Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester?
The CAS number of Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester is 39828-50-7.
What is the molecular formula of Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester?
The molecular formula of Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester is C11H6N2Se2.
What is the molecular weight of Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester?
The molecular weight of Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester is 325.89 g/mol.
Where can I buy Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester?
You can request a quote for Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Selenocyanic acid, (3-cyanobenzo(b)selenophene-2-yl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.