![4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile structure](/static/products/896/896090-64-5.png)
4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile
TL;DR: 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile (CAS 896090-64-5) is a chemical compound with molecular formula C19H16BrN3O2S and molecular weight 429.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-bromophenyl)-3-(furan-2-ylmethyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile, 8-(3-bromophenyl)-3-(furan-2-ylmethyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(3-bromophenyl)-3-(furan-2-ylmethyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(3-bromophenyl)-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
| Molecular Formula | C19H16BrN3O2S |
|---|---|
| Molecular Weight | 429.01 g/mol |
| LogP | 4.25718 |
| Topological Polar Surface Area | 60.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.01465 |
| Heavy Atoms | 26 |
| Complexity | 903.7581 |
Chemical Identifiers
| CAS Number | 896090-64-5 |
|---|---|
| SMILES | C1C(C(=C2N(C1=O)CN(CS2)CC3=CC=CO3)C#N)C4=CC(=CC=C4)Br |
Product Overview
4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile (CAS 896090-64-5), with molecular formula C19H16BrN3O2S and molecular weight 429.01 g/mol. IUPAC: 8-(3-bromophenyl)-3-(furan-2-ylmethyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile
Property Insights of 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile
The XLogP value of 4.25718 indicates that 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile. Following Lipinski's Rule of Five, 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile 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-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile?
The CAS number of 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile is 896090-64-5.
What is the molecular formula of 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile?
The molecular formula of 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile is C19H16BrN3O2S.
What is the molecular weight of 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile?
The molecular weight of 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile is 429.01 g/mol.
Where can I buy 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile?
You can request a quote for 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-bromophenyl)-9-(2-furylmethyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.