A3730/0158087
TL;DR: A3730/0158087 (CAS 727662-97-7) is a chemical compound with molecular formula C18H20N6O3 and molecular weight 368.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyethyl)-4,7,9-trimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: A3730/0158087, 1-(2-hydroxyethyl)-4,7,9-trimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione, 1-(2-hydroxyethyl)-4,7,9-trimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione, 1-(2-hydroxyethyl)-4,7,9-trimethyl-3-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
| Molecular Formula | C18H20N6O3 |
|---|---|
| Molecular Weight | 368.16 g/mol |
| LogP | 0.2113 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.1597 |
| Heavy Atoms | 27 |
| Complexity | 1171.7556 |
Chemical Identifiers
| CAS Number | 727662-97-7 |
|---|---|
| SMILES | CC1C(=NN(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)CCO)C4=CC=CC=C4 |
Product Overview
A3730/0158087 (CAS 727662-97-7), with molecular formula C18H20N6O3 and molecular weight 368.16 g/mol. IUPAC: 1-(2-hydroxyethyl)-4,7,9-trimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of A3730/0158087
Property Insights of A3730/0158087
The XLogP value of 0.2113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3730/0158087. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for A3730/0158087. Following Lipinski's Rule of Five, A3730/0158087 has 1 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 A3730/0158087?
The CAS number of A3730/0158087 is 727662-97-7.
What is the molecular formula of A3730/0158087?
The molecular formula of A3730/0158087 is C18H20N6O3.
What is the molecular weight of A3730/0158087?
The molecular weight of A3730/0158087 is 368.16 g/mol.
Where can I buy A3730/0158087?
You can request a quote for A3730/0158087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3730/0158087?
Yes, KEHONG BIO provides custom synthesis services for A3730/0158087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.