J1.382.237I
TL;DR: J1.382.237I (CAS 299218-36-3) is a chemical compound with molecular formula C22H15N5O3S and molecular weight 429.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzyl-5-methylsulfonyl-8-oxo-1,4,6,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carbonitrile
Also Known As: J1.382.237I, 11-benzyl-5-methanesulfonyl-8-oxo-1,4,6,11-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,9,12(17),13,15-heptaene-9-carbonitrile, 11-benzyl-5-methanesulfonyl-8-oxo-1,4,6,11-tetraazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carbonitrile, 3-(Methylsulfonyl)-5-oxo-7-benzyl-2,4,7,11b-tetraaza-5H,7H-benzo[c]fluorene-6-carbonitrile
| Molecular Formula | C22H15N5O3S |
|---|---|
| Molecular Weight | 429.09 g/mol |
| LogP | 2.52088 |
| Topological Polar Surface Area | 110.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.08957 |
| Heavy Atoms | 31 |
| Complexity | 1711.8373 |
Chemical Identifiers
| CAS Number | 299218-36-3 |
|---|---|
| SMILES | CS(=O)(=O)C1=NC=C2C(=N1)C(=O)C(=C3N2C4=CC=CC=C4N3CC5=CC=CC=C5)C#N |
Product Overview
J1.382.237I (CAS 299218-36-3), with molecular formula C22H15N5O3S and molecular weight 429.09 g/mol. IUPAC: 11-benzyl-5-methylsulfonyl-8-oxo-1,4,6,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carbonitrile.
Chemical Property Profile of J1.382.237I
Property Insights of J1.382.237I
The XLogP value of 2.52088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.382.237I. The TPSA of 110.12 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.382.237I. Following Lipinski's Rule of Five, J1.382.237I 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 J1.382.237I?
The CAS number of J1.382.237I is 299218-36-3.
What is the molecular formula of J1.382.237I?
The molecular formula of J1.382.237I is C22H15N5O3S.
What is the molecular weight of J1.382.237I?
The molecular weight of J1.382.237I is 429.09 g/mol.
Where can I buy J1.382.237I?
You can request a quote for J1.382.237I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.382.237I?
Yes, KEHONG BIO provides custom synthesis services for J1.382.237I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.