BAS 12401278
TL;DR: BAS 12401278 (CAS 876892-79-4) is a chemical compound with molecular formula C18H23N5O4 and molecular weight 373.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxypropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione
Also Known As: BAS 12401278, F3064-0100, 8-((2-hydroxypropyl)amino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione, 8-(2-hydroxypropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione, 8-[(2-hydroxypropyl)amino]-3-methyl-7-(3-phenoxypropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H23N5O4 |
|---|---|
| Molecular Weight | 373.18 g/mol |
| LogP | 0.6851 |
| Topological Polar Surface Area | 114.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.17502 |
| Heavy Atoms | 27 |
| Complexity | 1019.8934 |
Chemical Identifiers
| CAS Number | 876892-79-4 |
|---|---|
| SMILES | CC(CNC1=NC2=C(N1CCCOC3=CC=CC=C3)C(=O)NC(=O)N2C)O |
Product Overview
BAS 12401278 (CAS 876892-79-4), with molecular formula C18H23N5O4 and molecular weight 373.18 g/mol. IUPAC: 8-(2-hydroxypropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione.
Chemical Property Profile of BAS 12401278
Property Insights of BAS 12401278
The XLogP value of 0.6851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12401278. The TPSA of 114.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12401278. Following Lipinski's Rule of Five, BAS 12401278 has 3 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 BAS 12401278?
The CAS number of BAS 12401278 is 876892-79-4.
What is the molecular formula of BAS 12401278?
The molecular formula of BAS 12401278 is C18H23N5O4.
What is the molecular weight of BAS 12401278?
The molecular weight of BAS 12401278 is 373.18 g/mol.
Where can I buy BAS 12401278?
You can request a quote for BAS 12401278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12401278?
Yes, KEHONG BIO provides custom synthesis services for BAS 12401278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.