8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one
TL;DR: 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one (CAS 6640-56-8) is a chemical compound with molecular formula C13H13IN2OS and molecular weight 371.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-iodophenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
Also Known As: 2-(4-iodophenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one, 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one, 2-(4-iodophenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one, 2-(4-Iodophenyl)-3-sulfanylidenehexahydroimidazo[1,5-a]pyridin-1(5H)-one, 8-(4-iodophenyl)-9-sulfanylidene-1,8-diazabicyclo[4.3.0]nonan-7-one
| Molecular Formula | C13H13IN2OS |
|---|---|
| Molecular Weight | 371.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 371.97934 |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 6640-56-8 |
|---|---|
| SMILES | C1CCN2C(C1)C(=O)N(C2=S)C3=CC=C(C=C3)I |
| InChIKey | DXWDECKUMOMJLP-UHFFFAOYSA-N |
Product Overview
8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one (CAS 6640-56-8), with molecular formula C13H13IN2OS and molecular weight 371.98 g/mol. IUPAC: 2-(4-iodophenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one.
Chemical Property Profile of 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one
Property Insights of 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one
The XLogP value of 3.0 indicates that 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one has 0 hydrogen bond donor(s) and 2 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 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one?
The CAS number of 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one is 6640-56-8.
What is the molecular formula of 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one?
The molecular formula of 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one is C13H13IN2OS.
What is the molecular weight of 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one?
The molecular weight of 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one is 371.98 g/mol.
Where can I buy 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one?
You can request a quote for 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-Iodophenyl)-9-sulfanylidene-1,8-diazabicyclo(4.3.0)nonan-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.