![3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine structure](/static/products/903/903859-75-6.png)
3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine
TL;DR: 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine (CAS 903859-75-6) is a chemical compound with molecular formula C21H25ClN6O and molecular weight 412.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(4-chlorophenoxy)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N,N-dimethylpropan-1-amine
Also Known As: 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine, 3-(2-((4-chlorophenoxy)methyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-dimethylpropan-1-amine
| Molecular Formula | C21H25ClN6O |
|---|---|
| Molecular Weight | 412.18 g/mol |
| LogP | 3.87994 |
| Topological Polar Surface Area | 60.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.17783 |
| Heavy Atoms | 29 |
| Complexity | 1145.8612 |
Chemical Identifiers
| CAS Number | 903859-75-6 |
|---|---|
| SMILES | CC1=C(N(C2=C1C3=NC(=NN3C=N2)COC4=CC=C(C=C4)Cl)CCCN(C)C)C |
Product Overview
3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine (CAS 903859-75-6), with molecular formula C21H25ClN6O and molecular weight 412.18 g/mol. IUPAC: 3-[4-[(4-chlorophenoxy)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N,N-dimethylpropan-1-amine.
Chemical Property Profile of 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine
Property Insights of 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine
The XLogP value of 3.87994 indicates that 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine 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 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine. Following Lipinski's Rule of Five, 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine 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 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine?
The CAS number of 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine is 903859-75-6.
What is the molecular formula of 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine?
The molecular formula of 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine is C21H25ClN6O.
What is the molecular weight of 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine?
The molecular weight of 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine is 412.18 g/mol.
Where can I buy 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine?
You can request a quote for 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-{2-[(4-chlorophenoxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylpropan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.