BAS 00340075
TL;DR: BAS 00340075 (CAS 331235-49-5) is a chemical compound with molecular formula C15H20N6O2 and molecular weight 316.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile
Also Known As: BAS 00340075, 3-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile, F0373-0553, 3-[8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanenitrile, 3-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile
| Molecular Formula | C15H20N6O2 |
|---|---|
| Molecular Weight | 316.16 g/mol |
| LogP | 0.71738 |
| Topological Polar Surface Area | 99.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.16476 |
| Heavy Atoms | 23 |
| Complexity | 860.9353 |
Chemical Identifiers
| CAS Number | 331235-49-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCC#N |
Product Overview
BAS 00340075 (CAS 331235-49-5), with molecular formula C15H20N6O2 and molecular weight 316.16 g/mol. IUPAC: 3-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile.
Chemical Property Profile of BAS 00340075
Property Insights of BAS 00340075
The XLogP value of 0.71738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00340075. The TPSA of 99.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00340075. Following Lipinski's Rule of Five, BAS 00340075 has 1 hydrogen bond donor(s) and 5 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 00340075?
The CAS number of BAS 00340075 is 331235-49-5.
What is the molecular formula of BAS 00340075?
The molecular formula of BAS 00340075 is C15H20N6O2.
What is the molecular weight of BAS 00340075?
The molecular weight of BAS 00340075 is 316.16 g/mol.
Where can I buy BAS 00340075?
You can request a quote for BAS 00340075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00340075?
Yes, KEHONG BIO provides custom synthesis services for BAS 00340075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.