2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile
TL;DR: 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile (CAS 331857-34-2) is a chemical compound with molecular formula C14H10BrN3OS and molecular weight 346.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile
Also Known As: 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile, AB00079172-01, 2,7-diamino-4-(5-bromo-2-thienyl)-4H-chromene-3-carbonitrile
| Molecular Formula | C14H10BrN3OS |
|---|---|
| Molecular Weight | 346.97 g/mol |
| LogP | 3.31098 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.9728 |
| Heavy Atoms | 20 |
| Complexity | 760.0198 |
Chemical Identifiers
| CAS Number | 331857-34-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1N)OC(=C(C2C3=CC=C(S3)Br)C#N)N |
Product Overview
2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile (CAS 331857-34-2), with molecular formula C14H10BrN3OS and molecular weight 346.97 g/mol. IUPAC: 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile.
Chemical Property Profile of 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile
Property Insights of 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile
The XLogP value of 3.31098 indicates that 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile has 2 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 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile?
The CAS number of 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile is 331857-34-2.
What is the molecular formula of 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile?
The molecular formula of 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile is C14H10BrN3OS.
What is the molecular weight of 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile?
The molecular weight of 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile is 346.97 g/mol.
Where can I buy 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile?
You can request a quote for 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,7-diamino-4-(5-bromothiophen-2-yl)-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.