![3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile structure](/static/products/186/186421-51-2.png)
3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile
TL;DR: 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile (CAS 186421-51-2) is a chemical compound with molecular formula C20H19BrN4OS and molecular weight 442.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diamino-2-(4-bromobenzoyl)spiro[5H-thieno[2,3-b]pyridine-4,1'-cyclohexane]-5-carbonitrile
Also Known As: 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile, 3,6-diamino-2-(4-bromobenzoyl)spiro[5H-thieno[2,3-b]pyridine-4,1'-cyclohexane]-5-carbonitrile
| Molecular Formula | C20H19BrN4OS |
|---|---|
| Molecular Weight | 442.05 g/mol |
| LogP | 4.66778 |
| Topological Polar Surface Area | 105.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.0463 |
| Heavy Atoms | 27 |
| Complexity | 980.64606 |
Chemical Identifiers
| CAS Number | 186421-51-2 |
|---|---|
| SMILES | C1CCC2(CC1)C(C(=NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)Br)N)N)C#N |
Product Overview
3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile (CAS 186421-51-2), with molecular formula C20H19BrN4OS and molecular weight 442.05 g/mol. IUPAC: 3,6-diamino-2-(4-bromobenzoyl)spiro[5H-thieno[2,3-b]pyridine-4,1'-cyclohexane]-5-carbonitrile.
Chemical Property Profile of 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile
Property Insights of 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile
The XLogP value of 4.66778 indicates that 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile. Following Lipinski's Rule of Five, 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile has 2 hydrogen bond donor(s) and 6 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 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile?
The CAS number of 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile is 186421-51-2.
What is the molecular formula of 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile?
The molecular formula of 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile is C20H19BrN4OS.
What is the molecular weight of 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile?
The molecular weight of 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile is 442.05 g/mol.
Where can I buy 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile?
You can request a quote for 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3'-amino-2'-(4-bromobenzoyl)-6'-imino-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.