RefChem:270753
TL;DR: RefChem:270753 (CAS 85123-67-7) is a chemical compound with molecular formula C14H13N3O2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydro-1H-quinolin-2-one
Also Known As: C14H13N3O2.1/4H2O, Pyridine,2-(3-bromobenzo[b]thien-2-yl), 2-(1,2,3,4-Tetrahydroquinolin-2-on-6-yl)-3,4-diazabicyclo(4.1.0)hept-2-en-5-one hydrate (4:1), 2-3,4-diazabicyclo hept-2-en-5-onehydrate, C14-H13-N3-O2.1/4H2-O
| Molecular Formula | C14H13N3O2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 1.0413 |
| Topological Polar Surface Area | 70.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.10077 |
| Heavy Atoms | 19 |
| Complexity | 635.5783 |
Chemical Identifiers
| CAS Number | 85123-67-7 |
|---|---|
| SMILES | C1CC(=O)NC2=C1C=C(C=C2)C3=NNC(=O)C4C3C4 |
Product Overview
RefChem:270753 (CAS 85123-67-7), with molecular formula C14H13N3O2 and molecular weight 255.10 g/mol. IUPAC: 6-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydro-1H-quinolin-2-one.
Chemical Property Profile of RefChem:270753
Property Insights of RefChem:270753
The XLogP value of 1.0413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:270753. The TPSA of 70.56 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:270753. Following Lipinski's Rule of Five, RefChem:270753 has 2 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 RefChem:270753?
The CAS number of RefChem:270753 is 85123-67-7.
What is the molecular formula of RefChem:270753?
The molecular formula of RefChem:270753 is C14H13N3O2.
What is the molecular weight of RefChem:270753?
The molecular weight of RefChem:270753 is 255.10 g/mol.
Where can I buy RefChem:270753?
You can request a quote for RefChem:270753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:270753?
Yes, KEHONG BIO provides custom synthesis services for RefChem:270753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.