BAS 12401277
TL;DR: BAS 12401277 (CAS 876892-75-0) 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-(3-hydroxypropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione
Also Known As: BAS 12401277, VU0508230-1, F3064-0099, 8-((3-hydroxypropyl)amino)-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6(3H,7H)-dione, 8-(3-hydroxypropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione
| Molecular Formula | C18H23N5O4 |
|---|---|
| Molecular Weight | 373.18 g/mol |
| LogP | 0.6867 |
| Topological Polar Surface Area | 114.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 373.17502 |
| Heavy Atoms | 27 |
| Complexity | 1006.24927 |
Chemical Identifiers
| CAS Number | 876892-75-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CCCOC3=CC=CC=C3 |
Product Overview
BAS 12401277 (CAS 876892-75-0), with molecular formula C18H23N5O4 and molecular weight 373.18 g/mol. IUPAC: 8-(3-hydroxypropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione.
Chemical Property Profile of BAS 12401277
Property Insights of BAS 12401277
The XLogP value of 0.6867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12401277. The TPSA of 114.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12401277. Following Lipinski's Rule of Five, BAS 12401277 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 12401277?
The CAS number of BAS 12401277 is 876892-75-0.
What is the molecular formula of BAS 12401277?
The molecular formula of BAS 12401277 is C18H23N5O4.
What is the molecular weight of BAS 12401277?
The molecular weight of BAS 12401277 is 373.18 g/mol.
Where can I buy BAS 12401277?
You can request a quote for BAS 12401277 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12401277?
Yes, KEHONG BIO provides custom synthesis services for BAS 12401277 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.