BAS 12401227
TL;DR: BAS 12401227 (CAS 876891-96-2) is a chemical compound with molecular formula C14H23N5O4 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxyethyl)-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
Also Known As: BAS 12401227, VU0508210-1, F3064-0048, 7-(2-hydroxyethyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-(2-hydroxyethyl)-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
| Molecular Formula | C14H23N5O4 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | -0.3574 |
| Topological Polar Surface Area | 114.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.17502 |
| Heavy Atoms | 23 |
| Complexity | 773.7912 |
Chemical Identifiers
| CAS Number | 876891-96-2 |
|---|---|
| SMILES | CC(C)OCCCNC1=NC2=C(N1CCO)C(=O)NC(=O)N2C |
Product Overview
BAS 12401227 (CAS 876891-96-2), with molecular formula C14H23N5O4 and molecular weight 325.18 g/mol. IUPAC: 7-(2-hydroxyethyl)-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione.
Chemical Property Profile of BAS 12401227
Property Insights of BAS 12401227
The XLogP value of -0.3574 indicates that BAS 12401227 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12401227. Following Lipinski's Rule of Five, BAS 12401227 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 12401227?
The CAS number of BAS 12401227 is 876891-96-2.
What is the molecular formula of BAS 12401227?
The molecular formula of BAS 12401227 is C14H23N5O4.
What is the molecular weight of BAS 12401227?
The molecular weight of BAS 12401227 is 325.18 g/mol.
Where can I buy BAS 12401227?
You can request a quote for BAS 12401227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12401227?
Yes, KEHONG BIO provides custom synthesis services for BAS 12401227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.