2T-0840
TL;DR: 2T-0840 (CAS 861209-59-8) is a chemical compound with molecular formula C18H17N5O3 and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18,19-dimethoxy-4,5,7,9,13-pentazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaen-12-one
Also Known As: 2T-0840, 11,12-dimethoxy-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one, 18,19-dimethoxy-4,5,7,9,13-pentaazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one, 18,19-dimethoxy-4,5,7,9,13-pentazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaen-12-one
| Molecular Formula | C18H17N5O3 |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 1.4372 |
| Topological Polar Surface Area | 81.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.13315 |
| Heavy Atoms | 26 |
| Complexity | 1044.7278 |
Chemical Identifiers
| CAS Number | 861209-59-8 |
|---|---|
| SMILES | COC1=C(C=C2C3CC4=C(C=NC5=NC=NN45)C(=O)N3CCC2=C1)OC |
Product Overview
2T-0840 (CAS 861209-59-8), with molecular formula C18H17N5O3 and molecular weight 351.13 g/mol. IUPAC: 18,19-dimethoxy-4,5,7,9,13-pentazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaen-12-one.
Chemical Property Profile of 2T-0840
Property Insights of 2T-0840
The XLogP value of 1.4372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2T-0840. The TPSA of 81.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2T-0840. Following Lipinski's Rule of Five, 2T-0840 has 0 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 2T-0840?
The CAS number of 2T-0840 is 861209-59-8.
What is the molecular formula of 2T-0840?
The molecular formula of 2T-0840 is C18H17N5O3.
What is the molecular weight of 2T-0840?
The molecular weight of 2T-0840 is 351.13 g/mol.
Where can I buy 2T-0840?
You can request a quote for 2T-0840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2T-0840?
Yes, KEHONG BIO provides custom synthesis services for 2T-0840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.