![3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one structure](/static/products/3410/34103-69-0.webp)
3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
TL;DR: 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one (CAS 34103-69-0) is a chemical compound with molecular formula C11H10N2OS and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
Also Known As: 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one, 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one #, (1R,5R)-3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one, 4-Thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one, 3-(phenylmethyl)-
| Molecular Formula | C11H10N2OS |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.05139 |
| Heavy Atoms | 15 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 34103-69-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC3C(S2)NC3=O |
| InChIKey | XJMCFPFYTLBUQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one (CAS 34103-69-0), with molecular formula C11H10N2OS and molecular weight 218.05 g/mol. IUPAC: 3-benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one.
Chemical Property Profile of 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
Property Insights of 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one. Following Lipinski's Rule of Five, 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one has 1 hydrogen bond donor(s) and 3 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 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
The CAS number of 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one is 34103-69-0.
What is the molecular formula of 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
The molecular formula of 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one is C11H10N2OS.
What is the molecular weight of 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
The molecular weight of 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one is 218.05 g/mol.
Where can I buy 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
You can request a quote for 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.