2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile
TL;DR: 2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile (CAS 368434-47-3) is a chemical compound with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-benzoyl-2-(prop-2-enylamino)furan-3-carbonitrile
Also Known As: 2-(allylamino)-4-amino-5-benzoylfuran-3-carbonitrile, 4-amino-5-benzoyl-2-(prop-2-enylamino)furan-3-carbonitrile
| Molecular Formula | C15H13N3O2 |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 2.56238 |
| Topological Polar Surface Area | 92.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.10077 |
| Heavy Atoms | 20 |
| Complexity | 681.13446 |
Chemical Identifiers
| CAS Number | 368434-47-3 |
|---|---|
| SMILES | C=CCNC1=C(C(=C(O1)C(=O)C2=CC=CC=C2)N)C#N |
Product Overview
2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile (CAS 368434-47-3), with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol. IUPAC: 4-amino-5-benzoyl-2-(prop-2-enylamino)furan-3-carbonitrile.
Chemical Property Profile of 2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile
Property Insights of 2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile
The XLogP value of 2.56238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile. The TPSA of 92.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile. Following Lipinski's Rule of Five, 2-(Allylamino)-4-amino-5-benzoylfuran-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-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile?
The CAS number of 2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile is 368434-47-3.
What is the molecular formula of 2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile?
The molecular formula of 2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile is C15H13N3O2.
What is the molecular weight of 2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile?
The molecular weight of 2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile is 267.10 g/mol.
Where can I buy 2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile?
You can request a quote for 2-(Allylamino)-4-amino-5-benzoylfuran-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-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylamino)-4-amino-5-benzoylfuran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.