BAS 00612907
TL;DR: BAS 00612907 (CAS 314051-91-7) is a chemical compound with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: BAS 00612907, AB00094191-01, 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 2.90678 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 814.0459 |
Chemical Identifiers
| CAS Number | 314051-91-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C#N |
Product Overview
BAS 00612907 (CAS 314051-91-7), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of BAS 00612907
Property Insights of BAS 00612907
The XLogP value of 2.90678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00612907. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00612907. Following Lipinski's Rule of Five, BAS 00612907 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 00612907?
The CAS number of BAS 00612907 is 314051-91-7.
What is the molecular formula of BAS 00612907?
The molecular formula of BAS 00612907 is C18H16N2O3.
What is the molecular weight of BAS 00612907?
The molecular weight of BAS 00612907 is 308.12 g/mol.
Where can I buy BAS 00612907?
You can request a quote for BAS 00612907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00612907?
Yes, KEHONG BIO provides custom synthesis services for BAS 00612907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.