4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-
TL;DR: 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro- (CAS 16609-40-8) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-azatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione
Also Known As: 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboximide, 4a,8a-NAPHTHALENEDICARBOXIMIDE, 1,4,5,8-TETRAHYDRO-, 1,4,5,8-Tetrahydro-4a,8a-(methaniminomethano)naphhlalene-9,11-dione, 1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarbimide, 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 16609-40-8 |
|---|---|
| SMILES | C1C=CCC23C1(CC=CC2)C(=O)NC3=O |
| InChIKey | QXFLJTZDJRFOKL-UHFFFAOYSA-N |
Product Overview
4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro- (CAS 16609-40-8), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 12-azatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione.
Chemical Property Profile of 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-
Property Insights of 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-. With a topological polar surface area (TPSA) of 46.2 Ų, 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro- 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 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-?
The CAS number of 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro- is 16609-40-8.
What is the molecular formula of 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-?
The molecular formula of 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro- is C12H13NO2.
What is the molecular weight of 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-?
The molecular weight of 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro- is 203.09 g/mol.
Where can I buy 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-?
You can request a quote for 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.