![8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile structure](/static/products/860/860610-67-9.png)
8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile
TL;DR: 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile (CAS 860610-67-9) is a chemical compound with molecular formula C17H14ClN5 and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carbonitrile
Also Known As: 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile, 10T-0223, 3-[(3-chlorophenyl)methyl]-7-methyl-1,3,8,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile, 3-[(3-chlorophenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carbonitrile, 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-2-carbonitrile
| Molecular Formula | C17H14ClN5 |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 3.1255 |
| Topological Polar Surface Area | 57.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.09378 |
| Heavy Atoms | 23 |
| Complexity | 953.5075 |
Chemical Identifiers
| CAS Number | 860610-67-9 |
|---|---|
| SMILES | CC1=NC2=C(C=NN2C3=C1CCN3CC4=CC(=CC=C4)Cl)C#N |
Product Overview
8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile (CAS 860610-67-9), with molecular formula C17H14ClN5 and molecular weight 323.09 g/mol. IUPAC: 3-[(3-chlorophenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carbonitrile.
Chemical Property Profile of 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile
Property Insights of 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile
The XLogP value of 3.1255 indicates that 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.22 Ų, 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile has 0 hydrogen bond donor(s) and 4 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 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile?
The CAS number of 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile is 860610-67-9.
What is the molecular formula of 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile?
The molecular formula of 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile is C17H14ClN5.
What is the molecular weight of 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile?
The molecular weight of 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile is 323.09 g/mol.
Where can I buy 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile?
You can request a quote for 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-(3-chlorobenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.