C17H16N6S
TL;DR: C17H16N6S (CAS 1025364-18-4) is a chemical compound with molecular formula C17H16N6S and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-cyclopropyl-1H-pyrazol-3-yl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: BAS 13776520, A4049/0172726, 2-(5-cyclopropyl-1H-pyrazol-3-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(5-cyclopropyl-1H-pyrazol-3-yl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C17H16N6S |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 3.4853 |
| Topological Polar Surface Area | 71.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.11572 |
| Heavy Atoms | 24 |
| Complexity | 1083.5306 |
Chemical Identifiers
| CAS Number | 1025364-18-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=NNC(=C5)C6CC6 |
Product Overview
C17H16N6S (CAS 1025364-18-4), with molecular formula C17H16N6S and molecular weight 336.12 g/mol. IUPAC: 4-(5-cyclopropyl-1H-pyrazol-3-yl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of C17H16N6S
Property Insights of C17H16N6S
The XLogP value of 3.4853 indicates that C17H16N6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.76 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H16N6S. Following Lipinski's Rule of Five, C17H16N6S has 1 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 C17H16N6S?
The CAS number of C17H16N6S is 1025364-18-4.
What is the molecular formula of C17H16N6S?
The molecular formula of C17H16N6S is C17H16N6S.
What is the molecular weight of C17H16N6S?
The molecular weight of C17H16N6S is 336.12 g/mol.
Where can I buy C17H16N6S?
You can request a quote for C17H16N6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H16N6S?
Yes, KEHONG BIO provides custom synthesis services for C17H16N6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.