4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)-
TL;DR: 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)- (CAS 137052-91-6) is a chemical compound with molecular formula C20H18N2O2S and molecular weight 350.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(1,3-benzodioxol-5-yl)-16-thia-2,8-diazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,11(15)-tetraene
Also Known As: 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)-, 4-(2H-1,3-Benzodioxol-5-yl)-5,6,8,9-tetrahydro-4H,7H-cyclopenta[4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine, 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-2,3-propano-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine, 7-(2H-1,3-benzodioxol-5-yl)-16-thia-2,8-diazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,11(15)-tetraene, RefChem:296746
| Molecular Formula | C20H18N2O2S |
|---|---|
| Molecular Weight | 350.11 g/mol |
| LogP | 3.9488 |
| Topological Polar Surface Area | 35.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.1089 |
| Heavy Atoms | 25 |
| Complexity | 987.7453 |
Chemical Identifiers
| CAS Number | 137052-91-6 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2CNC(C4=CC=CN43)C5=CC6=C(C=C5)OCO6 |
Product Overview
4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)- (CAS 137052-91-6), with molecular formula C20H18N2O2S and molecular weight 350.11 g/mol. IUPAC: 7-(1,3-benzodioxol-5-yl)-16-thia-2,8-diazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,11(15)-tetraene.
Chemical Property Profile of 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)-
Property Insights of 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)-
The XLogP value of 3.9488 indicates that 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.42 Ų, 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)- has 1 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 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)-?
The CAS number of 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)- is 137052-91-6.
What is the molecular formula of 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)-?
The molecular formula of 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)- is C20H18N2O2S.
What is the molecular weight of 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)-?
The molecular weight of 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)- is 350.11 g/mol.
Where can I buy 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)-?
You can request a quote for 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(1,3-benzodioxol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.