RefChem:311598
TL;DR: RefChem:311598 (CAS 860610-82-8) is a chemical compound with molecular formula C14H17N5O2 and molecular weight 287.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethoxyethyl)-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-(2,2-dimethoxyethyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile, 3-(2,2-dimethoxyethyl)-7-methyl-1,3,8,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile, 3-(2,2-Dimethoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carbonitrile, 8-(2,2-dimethoxyethyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-2-carbonitrile, 8-(2,2-Dimethoxyethyl)-7,8-dihydro-5-methyl-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile
| Molecular Formula | C14H17N5O2 |
|---|---|
| Molecular Weight | 287.14 g/mol |
| LogP | 0.8908 |
| Topological Polar Surface Area | 75.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.1382 |
| Heavy Atoms | 21 |
| Complexity | 714.2032 |
Chemical Identifiers
| CAS Number | 860610-82-8 |
|---|---|
| SMILES | CC1=NC2=C(C=NN2C3=C1CCN3CC(OC)OC)C#N |
Product Overview
RefChem:311598 (CAS 860610-82-8), with molecular formula C14H17N5O2 and molecular weight 287.14 g/mol. IUPAC: 3-(2,2-dimethoxyethyl)-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 RefChem:311598
Property Insights of RefChem:311598
The XLogP value of 0.8908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:311598. The TPSA of 75.68 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:311598. Following Lipinski's Rule of Five, RefChem:311598 has 0 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 RefChem:311598?
The CAS number of RefChem:311598 is 860610-82-8.
What is the molecular formula of RefChem:311598?
The molecular formula of RefChem:311598 is C14H17N5O2.
What is the molecular weight of RefChem:311598?
The molecular weight of RefChem:311598 is 287.14 g/mol.
Where can I buy RefChem:311598?
You can request a quote for RefChem:311598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:311598?
Yes, KEHONG BIO provides custom synthesis services for RefChem:311598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.