ChemDiv1_024101
TL;DR: ChemDiv1_024101 (CAS 384356-59-6) is a chemical compound with molecular formula C14H7IN4O3S and molecular weight 437.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-iodophenyl)-11-methyl-7-thia-1,4,9,10-tetrazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-triene-3,5,12-trione
Also Known As: ChemDiv1_024101, AF-399/40713319, 7-(4-iodophenyl)-3-methyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione, 2-(4-iodophenyl)-7-methylpyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione, 7-(4-iodophenyl)-3-methylpyrrolo[3',4':4,5]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione
| Molecular Formula | C14H7IN4O3S |
|---|---|
| Molecular Weight | 437.93 g/mol |
| LogP | 1.86462 |
| Topological Polar Surface Area | 84.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 437.92838 |
| Heavy Atoms | 23 |
| Complexity | 1054.3099 |
Chemical Identifiers
| CAS Number | 384356-59-6 |
|---|---|
| SMILES | CC1=NN=C2N(C1=O)C3=C(S2)C(=O)N(C3=O)C4=CC=C(C=C4)I |
Product Overview
ChemDiv1_024101 (CAS 384356-59-6), with molecular formula C14H7IN4O3S and molecular weight 437.93 g/mol. IUPAC: 4-(4-iodophenyl)-11-methyl-7-thia-1,4,9,10-tetrazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-triene-3,5,12-trione.
Chemical Property Profile of ChemDiv1_024101
Property Insights of ChemDiv1_024101
The XLogP value of 1.86462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_024101. The TPSA of 84.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024101. Following Lipinski's Rule of Five, ChemDiv1_024101 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 ChemDiv1_024101?
The CAS number of ChemDiv1_024101 is 384356-59-6.
What is the molecular formula of ChemDiv1_024101?
The molecular formula of ChemDiv1_024101 is C14H7IN4O3S.
What is the molecular weight of ChemDiv1_024101?
The molecular weight of ChemDiv1_024101 is 437.93 g/mol.
Where can I buy ChemDiv1_024101?
You can request a quote for ChemDiv1_024101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024101?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.