ChemDiv1_000696
TL;DR: ChemDiv1_000696 (CAS 356522-33-3) is a chemical compound with molecular formula C18H12N4O4S2 and molecular weight 412.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
Also Known As: ChemDiv1_000696, AE-848/08417023, 2,6-di(thiazol-2-yl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone, 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.0^{2,6}.0^{8,12}]tetradec-13-ene-3,5,9,11-tetrone, 4,10-Bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
| Molecular Formula | C18H12N4O4S2 |
|---|---|
| Molecular Weight | 412.03 g/mol |
| LogP | 1.3268 |
| Topological Polar Surface Area | 100.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.03 |
| Heavy Atoms | 28 |
| Complexity | 935.2941 |
Chemical Identifiers
| CAS Number | 356522-33-3 |
|---|---|
| SMILES | C1=CC2C3C(C1C4C2C(=O)N(C4=O)C5=NC=CS5)C(=O)N(C3=O)C6=NC=CS6 |
Product Overview
ChemDiv1_000696 (CAS 356522-33-3), with molecular formula C18H12N4O4S2 and molecular weight 412.03 g/mol. IUPAC: 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone.
Chemical Property Profile of ChemDiv1_000696
Property Insights of ChemDiv1_000696
The XLogP value of 1.3268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_000696. The TPSA of 100.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000696. Following Lipinski's Rule of Five, ChemDiv1_000696 has 0 hydrogen bond donor(s) and 8 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 ChemDiv1_000696?
The CAS number of ChemDiv1_000696 is 356522-33-3.
What is the molecular formula of ChemDiv1_000696?
The molecular formula of ChemDiv1_000696 is C18H12N4O4S2.
What is the molecular weight of ChemDiv1_000696?
The molecular weight of ChemDiv1_000696 is 412.03 g/mol.
Where can I buy ChemDiv1_000696?
You can request a quote for ChemDiv1_000696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000696?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.