BAS 12401302
TL;DR: BAS 12401302 (CAS 876893-03-7) is a chemical compound with molecular formula C18H21N5O4 and molecular weight 371.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-methoxypropylamino)-3-methyl-7-phenacylpurine-2,6-dione
Also Known As: BAS 12401302, VU0508246-1, AB00689092-01, 8-(3-methoxypropylamino)-3-methyl-7-phenacylpurine-2,6-dione, F3064-0124
| Molecular Formula | C18H21N5O4 |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 0.7546 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.15936 |
| Heavy Atoms | 27 |
| Complexity | 1065.0309 |
Chemical Identifiers
| CAS Number | 876893-03-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CC(=O)C3=CC=CC=C3 |
Product Overview
BAS 12401302 (CAS 876893-03-7), with molecular formula C18H21N5O4 and molecular weight 371.16 g/mol. IUPAC: 8-(3-methoxypropylamino)-3-methyl-7-phenacylpurine-2,6-dione.
Chemical Property Profile of BAS 12401302
Property Insights of BAS 12401302
The XLogP value of 0.7546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12401302. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12401302. Following Lipinski's Rule of Five, BAS 12401302 has 2 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 12401302?
The CAS number of BAS 12401302 is 876893-03-7.
What is the molecular formula of BAS 12401302?
The molecular formula of BAS 12401302 is C18H21N5O4.
What is the molecular weight of BAS 12401302?
The molecular weight of BAS 12401302 is 371.16 g/mol.
Where can I buy BAS 12401302?
You can request a quote for BAS 12401302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12401302?
Yes, KEHONG BIO provides custom synthesis services for BAS 12401302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.