5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine
TL;DR: 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine (CAS 136334-19-5) is a chemical compound with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,3-benzodioxol-5-yl)-5-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene
Also Known As: 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine, 4H-Pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine, 5,6-dihydro-6-(1,3-benzodioxol-5-yl)-, 6-(1,3-Benzodioxol-5-yl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[2,3-f][1,4]diazepine, 6-(2H-1,3-Benzodioxol-5-yl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[2,3-f][1,4]diazepine, 9-(2H-1,3-benzodioxol-5-yl)-5-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene
| Molecular Formula | C17H14N2O2S |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 3.4601 |
| Topological Polar Surface Area | 35.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.0776 |
| Heavy Atoms | 22 |
| Complexity | 851.97345 |
Chemical Identifiers
| CAS Number | 136334-19-5 |
|---|---|
| SMILES | C1C2=C(C=CS2)N3C=CC=C3C(N1)C4=CC5=C(C=C4)OCO5 |
Product Overview
5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine (CAS 136334-19-5), with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol. IUPAC: 9-(1,3-benzodioxol-5-yl)-5-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene.
Chemical Property Profile of 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine
Property Insights of 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine
The XLogP value of 3.4601 indicates that 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.42 Ų, 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine 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 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine?
The CAS number of 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine is 136334-19-5.
What is the molecular formula of 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine?
The molecular formula of 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine is C17H14N2O2S.
What is the molecular weight of 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine?
The molecular weight of 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine is 310.08 g/mol.
Where can I buy 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine?
You can request a quote for 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dihydro-6-(1,3-benzodioxol-5-yl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.