A3599/0152466
TL;DR: A3599/0152466 (CAS 696608-65-8) is a chemical compound with molecular formula C13H12N6S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-methyl-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene
Also Known As: A3599/0152466, 11-methyl-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine, 11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine, 11-METHYL-10,11,12,13-TETRAHYDRO[1]BENZOTHIENO[3,2-E]DI[1,2,4]TRIAZOLO[4,3-A:4,3-C]PYRIMIDINE
| Molecular Formula | C13H12N6S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.1115 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.0844 |
| Heavy Atoms | 20 |
| Complexity | 961.5402 |
Chemical Identifiers
| CAS Number | 696608-65-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C4=NN=CN4C5=NN=CN35 |
Product Overview
A3599/0152466 (CAS 696608-65-8), with molecular formula C13H12N6S and molecular weight 284.08 g/mol. IUPAC: 16-methyl-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene.
Chemical Property Profile of A3599/0152466
Property Insights of A3599/0152466
The XLogP value of 2.1115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3599/0152466. The TPSA of 60.38 Ų falls within the moderate polarity range, balancing permeability and solubility for A3599/0152466. Following Lipinski's Rule of Five, A3599/0152466 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 A3599/0152466?
The CAS number of A3599/0152466 is 696608-65-8.
What is the molecular formula of A3599/0152466?
The molecular formula of A3599/0152466 is C13H12N6S.
What is the molecular weight of A3599/0152466?
The molecular weight of A3599/0152466 is 284.08 g/mol.
Where can I buy A3599/0152466?
You can request a quote for A3599/0152466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3599/0152466?
Yes, KEHONG BIO provides custom synthesis services for A3599/0152466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.