BAS 06502887
TL;DR: BAS 06502887 (CAS 476481-00-2) is a chemical compound with molecular formula C14H18N6O3 and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)propanenitrile
Also Known As: BAS 06502887, 3-(1,3-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)propanenitrile, 3-[1,3-dimethyl-8-(morpholin-4-yl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanenitrile, 3-(1,3-dimethyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile, 3-(1,3-DIMETHYL-8-(4-MORPHOLINYL)-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)PROPANENITRILE
| Molecular Formula | C14H18N6O3 |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | -0.81602 |
| Topological Polar Surface Area | 98.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.14404 |
| Heavy Atoms | 23 |
| Complexity | 894.3343 |
Chemical Identifiers
| CAS Number | 476481-00-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCC#N |
Product Overview
BAS 06502887 (CAS 476481-00-2), with molecular formula C14H18N6O3 and molecular weight 318.14 g/mol. IUPAC: 3-(1,3-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)propanenitrile.
Chemical Property Profile of BAS 06502887
Property Insights of BAS 06502887
The XLogP value of -0.81602 indicates that BAS 06502887 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06502887. Following Lipinski's Rule of Five, BAS 06502887 has 0 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 06502887?
The CAS number of BAS 06502887 is 476481-00-2.
What is the molecular formula of BAS 06502887?
The molecular formula of BAS 06502887 is C14H18N6O3.
What is the molecular weight of BAS 06502887?
The molecular weight of BAS 06502887 is 318.14 g/mol.
Where can I buy BAS 06502887?
You can request a quote for BAS 06502887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06502887?
Yes, KEHONG BIO provides custom synthesis services for BAS 06502887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.