A3666/0155408
TL;DR: A3666/0155408 (CAS 698981-01-0) is a chemical compound with molecular formula C17H18N6O3S2 and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(15,15-dimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetate
Also Known As: A3666/0155408, ethyl [(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetate, ethyl 2-((12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetate, ethyl 2-[(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl)sulfanyl]acetate
| Molecular Formula | C17H18N6O3S2 |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 2.4932 |
| Topological Polar Surface Area | 95.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.0882 |
| Heavy Atoms | 28 |
| Complexity | 1224.3572 |
Chemical Identifiers
| CAS Number | 698981-01-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)COC(C4)(C)C)C5=NC=NN52 |
Product Overview
A3666/0155408 (CAS 698981-01-0), with molecular formula C17H18N6O3S2 and molecular weight 418.09 g/mol. IUPAC: ethyl 2-[(15,15-dimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetate.
Chemical Property Profile of A3666/0155408
Property Insights of A3666/0155408
The XLogP value of 2.4932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3666/0155408. The TPSA of 95.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A3666/0155408. Following Lipinski's Rule of Five, A3666/0155408 has 0 hydrogen bond donor(s) and 9 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 A3666/0155408?
The CAS number of A3666/0155408 is 698981-01-0.
What is the molecular formula of A3666/0155408?
The molecular formula of A3666/0155408 is C17H18N6O3S2.
What is the molecular weight of A3666/0155408?
The molecular weight of A3666/0155408 is 418.09 g/mol.
Where can I buy A3666/0155408?
You can request a quote for A3666/0155408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3666/0155408?
Yes, KEHONG BIO provides custom synthesis services for A3666/0155408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.