1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde
TL;DR: 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde (CAS 149139-98-0) is a chemical compound with molecular formula C11H6N2O2S and molecular weight 230.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thia-5,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3,7-dicarbaldehyde
Also Known As: 1-thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde, F1059-0052, 1-thia-3,8b-diaza-2,5-acenaphthylenedicarbaldehyde, 2-thia-5,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3,7-dicarbaldehyde, 2-thia-5,12-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(11),3,5,7,9-pentaene-3,7-dicarbaldehyde
| Molecular Formula | C11H6N2O2S |
|---|---|
| Molecular Weight | 230.01 g/mol |
| LogP | 1.3518 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.015 |
| Heavy Atoms | 16 |
| Complexity | 552.33185 |
Chemical Identifiers
| CAS Number | 149139-98-0 |
|---|---|
| SMILES | C1=CC2=C(C=NC3=C(SC(=C1)N23)C=O)C=O |
Product Overview
1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde (CAS 149139-98-0), with molecular formula C11H6N2O2S and molecular weight 230.01 g/mol. IUPAC: 2-thia-5,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3,7-dicarbaldehyde.
Chemical Property Profile of 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde
Property Insights of 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde
The XLogP value of 1.3518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde. With a topological polar surface area (TPSA) of 49.74 Ų, 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde 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 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde?
The CAS number of 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde is 149139-98-0.
What is the molecular formula of 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde?
The molecular formula of 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde is C11H6N2O2S.
What is the molecular weight of 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde?
The molecular weight of 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde is 230.01 g/mol.
Where can I buy 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde?
You can request a quote for 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Thia-2a1,3-diazaacenaphthylene-2,5-dicarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.