8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one
TL;DR: 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one (CAS 329070-78-2) is a chemical compound with molecular formula C15H16N2O and molecular weight 240.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one
Also Known As: BAS 00386739, 8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one, 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one, 8-Methyl-1,2,3,3a,4,5-hexahydro-3,10b-diaza-acephenanthrylen-6-one
| Molecular Formula | C15H16N2O |
|---|---|
| Molecular Weight | 240.13 g/mol |
| LogP | 1.90042 |
| Topological Polar Surface Area | 34.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.12627 |
| Heavy Atoms | 18 |
| Complexity | 714.4859 |
Chemical Identifiers
| CAS Number | 329070-78-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3CCNC4C3=C(C2=O)CC4 |
Product Overview
8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one (CAS 329070-78-2), with molecular formula C15H16N2O and molecular weight 240.13 g/mol. IUPAC: 5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one.
Chemical Property Profile of 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one
Property Insights of 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one
The XLogP value of 1.90042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one. With a topological polar surface area (TPSA) of 34.03 Ų, 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one has 1 hydrogen bond donor(s) and 2 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 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one?
The CAS number of 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one is 329070-78-2.
What is the molecular formula of 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one?
The molecular formula of 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one is C15H16N2O.
What is the molecular weight of 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one?
The molecular weight of 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one is 240.13 g/mol.
Where can I buy 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one?
You can request a quote for 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.