![2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione structure](/static/products/7384/73844-17-4.webp)
2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 73844-17-4) is a chemical compound with molecular formula C22H23N3O2S2 and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2-cyclopentylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-[[(2-Cyclopentylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
| Molecular Formula | C22H23N3O2S2 |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.12317 |
| Heavy Atoms | 29 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 73844-17-4 |
|---|---|
| SMILES | C1CCC(C1)SC2=NC3=C(S2)C=C(C=C3)NCN4C(=O)C5C6CC(C5C4=O)C=C6 |
| InChIKey | VZBUWDULSRFIIS-UHFFFAOYSA-N |
Product Overview
2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 73844-17-4), with molecular formula C22H23N3O2S2 and molecular weight 425.12 g/mol. IUPAC: 4-[[(2-cyclopentylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 4.6 indicates that 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione has 1 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 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 73844-17-4.
What is the molecular formula of 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C22H23N3O2S2.
What is the molecular weight of 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 425.12 g/mol.
Where can I buy 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-({[2-(Cyclopentylsulfanyl)-1,3-benzothiazol-6-yl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.