F1602-0042
TL;DR: F1602-0042 (CAS 866016-47-9) is a chemical compound with molecular formula C17H12ClN3O3S2 and molecular weight 405.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 12-(4-chlorophenyl)-4-methyl-2-oxo-6,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraene-5-carboxylate
Also Known As: F1602-0042, methyl 2-(4-chlorophenyl)-8-methyl-9-oxo-3,9-dihydrothieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate, methyl 2-(4-chlorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
| Molecular Formula | C17H12ClN3O3S2 |
|---|---|
| Molecular Weight | 405.00 g/mol |
| LogP | 3.56452 |
| Topological Polar Surface Area | 73.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.00085 |
| Heavy Atoms | 26 |
| Complexity | 1132.846 |
Chemical Identifiers
| CAS Number | 866016-47-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N3C(=N2)SCC(=N3)C4=CC=C(C=C4)Cl)C(=O)OC |
Product Overview
F1602-0042 (CAS 866016-47-9), with molecular formula C17H12ClN3O3S2 and molecular weight 405.00 g/mol. IUPAC: methyl 12-(4-chlorophenyl)-4-methyl-2-oxo-6,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraene-5-carboxylate.
Chemical Property Profile of F1602-0042
Property Insights of F1602-0042
The XLogP value of 3.56452 indicates that F1602-0042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.55 Ų falls within the moderate polarity range, balancing permeability and solubility for F1602-0042. Following Lipinski's Rule of Five, F1602-0042 has 0 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 F1602-0042?
The CAS number of F1602-0042 is 866016-47-9.
What is the molecular formula of F1602-0042?
The molecular formula of F1602-0042 is C17H12ClN3O3S2.
What is the molecular weight of F1602-0042?
The molecular weight of F1602-0042 is 405.00 g/mol.
Where can I buy F1602-0042?
You can request a quote for F1602-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1602-0042?
Yes, KEHONG BIO provides custom synthesis services for F1602-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.