ChemDiv3_002776
TL;DR: ChemDiv3_002776 (CAS 308298-95-5) is a chemical compound with molecular formula C18H15N5OS3 and molecular weight 413.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(5-anilino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: ChemDiv3_002776, AF-399/15335563, 2-(((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, F0857-0004, 10-({[5-(phenylamino)-1,3,4-thiadiazol-2-yl]methyl}sulfanyl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C18H15N5OS3 |
|---|---|
| Molecular Weight | 413.04 g/mol |
| LogP | 4.3607 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.04388 |
| Heavy Atoms | 27 |
| Complexity | 1164.9254 |
Chemical Identifiers
| CAS Number | 308298-95-5 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCC4=NN=C(S4)NC5=CC=CC=C5 |
Product Overview
ChemDiv3_002776 (CAS 308298-95-5), with molecular formula C18H15N5OS3 and molecular weight 413.04 g/mol. IUPAC: 10-[(5-anilino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of ChemDiv3_002776
Property Insights of ChemDiv3_002776
The XLogP value of 4.3607 indicates that ChemDiv3_002776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002776. Following Lipinski's Rule of Five, ChemDiv3_002776 has 2 hydrogen bond donor(s) and 8 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 ChemDiv3_002776?
The CAS number of ChemDiv3_002776 is 308298-95-5.
What is the molecular formula of ChemDiv3_002776?
The molecular formula of ChemDiv3_002776 is C18H15N5OS3.
What is the molecular weight of ChemDiv3_002776?
The molecular weight of ChemDiv3_002776 is 413.04 g/mol.
Where can I buy ChemDiv3_002776?
You can request a quote for ChemDiv3_002776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002776?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.