A3958/0168666
TL;DR: A3958/0168666 (CAS 374097-80-0) is a chemical compound with molecular formula C16H17N5OS2 and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-morpholin-4-yl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),14-pentaene-13-thione
Also Known As: A3958/0168666, 5-morpholino-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline-8(9H)-thione, 5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline-8-thiol, 5-MORPHOLINO-1,2,3,4-TETRAHYDRO[1,2,3]TRIAZINO[4',5':4,5]THIENO[2,3-C]ISOQUINOLIN-8-YLHYDROSULFIDE
| Molecular Formula | C16H17N5OS2 |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 3.01249 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 359.08746 |
| Heavy Atoms | 24 |
| Complexity | 989.446 |
Chemical Identifiers
| CAS Number | 374097-80-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=C2N4CCOCC4)SC5=C3NN=NC5=S |
Product Overview
A3958/0168666 (CAS 374097-80-0), with molecular formula C16H17N5OS2 and molecular weight 359.09 g/mol. IUPAC: 8-morpholin-4-yl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),14-pentaene-13-thione.
Chemical Property Profile of A3958/0168666
Property Insights of A3958/0168666
The XLogP value of 3.01249 indicates that A3958/0168666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for A3958/0168666. Following Lipinski's Rule of Five, A3958/0168666 has 1 hydrogen bond donor(s) and 7 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 A3958/0168666?
The CAS number of A3958/0168666 is 374097-80-0.
What is the molecular formula of A3958/0168666?
The molecular formula of A3958/0168666 is C16H17N5OS2.
What is the molecular weight of A3958/0168666?
The molecular weight of A3958/0168666 is 359.09 g/mol.
Where can I buy A3958/0168666?
You can request a quote for A3958/0168666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3958/0168666?
Yes, KEHONG BIO provides custom synthesis services for A3958/0168666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.