BAS 00337720
TL;DR: BAS 00337720 (CAS 132401-95-7) is a chemical compound with molecular formula C13H18N4O and molecular weight 246.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(cyanomethyl)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetonitrile
Also Known As: BAS 00337720, SDCCGMLS-0065339.P001, AB00352597-03, 2,2'-(1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-diyl)diacetonitrile, 2-[3-(cyanomethyl)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-7-yl]acetonitrile
| Molecular Formula | C13H18N4O |
|---|---|
| Molecular Weight | 246.15 g/mol |
| LogP | 0.24646 |
| Topological Polar Surface Area | 71.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.14806 |
| Heavy Atoms | 18 |
| Complexity | 392.88806 |
Chemical Identifiers
| CAS Number | 132401-95-7 |
|---|---|
| SMILES | CC12CN(CC(C1=O)(CN(C2)CC#N)C)CC#N |
Product Overview
BAS 00337720 (CAS 132401-95-7), with molecular formula C13H18N4O and molecular weight 246.15 g/mol. IUPAC: 2-[7-(cyanomethyl)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetonitrile.
Chemical Property Profile of BAS 00337720
Property Insights of BAS 00337720
The XLogP value of 0.24646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00337720. The TPSA of 71.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00337720. Following Lipinski's Rule of Five, BAS 00337720 has 0 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 00337720?
The CAS number of BAS 00337720 is 132401-95-7.
What is the molecular formula of BAS 00337720?
The molecular formula of BAS 00337720 is C13H18N4O.
What is the molecular weight of BAS 00337720?
The molecular weight of BAS 00337720 is 246.15 g/mol.
Where can I buy BAS 00337720?
You can request a quote for BAS 00337720 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00337720?
Yes, KEHONG BIO provides custom synthesis services for BAS 00337720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.