AB00357892-02
TL;DR: AB00357892-02 (CAS 450345-85-4) is a chemical compound with molecular formula C16H19N5O4 and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-amine
Also Known As: AB00357892-02, F0543-0235, 6-(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-5-nitropyrimidin-4-amine, 6-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-5-nitropyrimidin-4-amine, 6-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-amine
| Molecular Formula | C16H19N5O4 |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | 2.1079 |
| Topological Polar Surface Area | 116.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.1437 |
| Heavy Atoms | 25 |
| Complexity | 826.41266 |
Chemical Identifiers
| CAS Number | 450345-85-4 |
|---|---|
| SMILES | CC1C2=CC(=C(C=C2CCN1C3=NC=NC(=C3[N+](=O)[O-])N)OC)OC |
Product Overview
AB00357892-02 (CAS 450345-85-4), with molecular formula C16H19N5O4 and molecular weight 345.14 g/mol. IUPAC: 6-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-amine.
Chemical Property Profile of AB00357892-02
Property Insights of AB00357892-02
The XLogP value of 2.1079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00357892-02. The TPSA of 116.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00357892-02. Following Lipinski's Rule of Five, AB00357892-02 has 1 hydrogen bond donor(s) and 8 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 AB00357892-02?
The CAS number of AB00357892-02 is 450345-85-4.
What is the molecular formula of AB00357892-02?
The molecular formula of AB00357892-02 is C16H19N5O4.
What is the molecular weight of AB00357892-02?
The molecular weight of AB00357892-02 is 345.14 g/mol.
Where can I buy AB00357892-02?
You can request a quote for AB00357892-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00357892-02?
Yes, KEHONG BIO provides custom synthesis services for AB00357892-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.