5,6-Dihydro-6-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine
TL;DR: 5,6-Dihydro-6-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine (CAS 136334-18-4) is a chemical compound with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-5-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene
Also Known As: 5,6-Dihydro-6-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-, 6-(3,4-Dimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[2,3-f][1,4]diazepine, 9-(3,4-dimethoxyphenyl)-5-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene, BRN 4845726
| Molecular Formula | C18H18N2O2S |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 3.7486 |
| Topological Polar Surface Area | 35.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1089 |
| Heavy Atoms | 23 |
| Complexity | 837.17163 |
Chemical Identifiers
| CAS Number | 136334-18-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=CC=CN3C4=C(CN2)SC=C4)OC |
Product Overview
5,6-Dihydro-6-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine (CAS 136334-18-4), with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine
Property Insights of 5,6-Dihydro-6-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine
The XLogP value of 3.7486 indicates that 5,6-Dihydro-6-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine?
The CAS number of 5,6-Dihydro-6-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine is 136334-18-4.
What is the molecular formula of 5,6-Dihydro-6-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine?
The molecular formula of 5,6-Dihydro-6-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine is C18H18N2O2S.
What is the molecular weight of 5,6-Dihydro-6-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine?
The molecular weight of 5,6-Dihydro-6-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine is 326.11 g/mol.
Where can I buy 5,6-Dihydro-6-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine?
You can request a quote for 5,6-Dihydro-6-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dihydro-6-(3,4-dimethoxyphenyl)-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.