BAS 00619955
TL;DR: BAS 00619955 (CAS 331841-20-4) is a chemical compound with molecular formula C22H16IN3O3 and molecular weight 497.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-iodophenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaene-4,6,17-trione
Also Known As: BAS 00619955, 5-(4-iodophenyl)-1,3-dimethyl-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 2-(4-iodophenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaene-4,6,17-trione
| Molecular Formula | C22H16IN3O3 |
|---|---|
| Molecular Weight | 497.02 g/mol |
| LogP | 2.7674 |
| Topological Polar Surface Area | 73.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 497.02365 |
| Heavy Atoms | 29 |
| Complexity | 1349.1959 |
Chemical Identifiers
| CAS Number | 331841-20-4 |
|---|---|
| SMILES | CN1C2=C(C(C3C(=N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)I)C(=O)N(C1=O)C |
Product Overview
BAS 00619955 (CAS 331841-20-4), with molecular formula C22H16IN3O3 and molecular weight 497.02 g/mol. IUPAC: 2-(4-iodophenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaene-4,6,17-trione.
Chemical Property Profile of BAS 00619955
Property Insights of BAS 00619955
The XLogP value of 2.7674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00619955. The TPSA of 73.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00619955. Following Lipinski's Rule of Five, BAS 00619955 has 0 hydrogen bond donor(s) and 4 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 BAS 00619955?
The CAS number of BAS 00619955 is 331841-20-4.
What is the molecular formula of BAS 00619955?
The molecular formula of BAS 00619955 is C22H16IN3O3.
What is the molecular weight of BAS 00619955?
The molecular weight of BAS 00619955 is 497.02 g/mol.
Where can I buy BAS 00619955?
You can request a quote for BAS 00619955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619955?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.