AB00122014-01
TL;DR: AB00122014-01 (CAS 459155-71-6) is a chemical compound with molecular formula C22H18N2O4S2 and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-ethoxyphenyl)-8-phenyl-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: AB00122014-01, 11-(4-ethoxyphenyl)-8-phenyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione, 5-(4-ethoxyphenyl)-8-phenyl-2,10-dithia-5,12-diazatricyclo[7.3.0.0<3,7>]dodec- 1(9)-ene-4,6,11-trione, 6-(4-ethoxyphenyl)-8-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
| Molecular Formula | C22H18N2O4S2 |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | 3.6309 |
| Topological Polar Surface Area | 79.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.0708 |
| Heavy Atoms | 30 |
| Complexity | 1169.8531 |
Chemical Identifiers
| CAS Number | 459155-71-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3C(C4=C(NC(=O)S4)SC3C2=O)C5=CC=CC=C5 |
Product Overview
AB00122014-01 (CAS 459155-71-6), with molecular formula C22H18N2O4S2 and molecular weight 438.07 g/mol. IUPAC: 11-(4-ethoxyphenyl)-8-phenyl-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione.
Chemical Property Profile of AB00122014-01
Property Insights of AB00122014-01
The XLogP value of 3.6309 indicates that AB00122014-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.47 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122014-01. Following Lipinski's Rule of Five, AB00122014-01 has 1 hydrogen bond donor(s) and 6 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 AB00122014-01?
The CAS number of AB00122014-01 is 459155-71-6.
What is the molecular formula of AB00122014-01?
The molecular formula of AB00122014-01 is C22H18N2O4S2.
What is the molecular weight of AB00122014-01?
The molecular weight of AB00122014-01 is 438.07 g/mol.
Where can I buy AB00122014-01?
You can request a quote for AB00122014-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122014-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122014-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.