RefChem:236860
TL;DR: RefChem:236860 (CAS 53375-23-8) is a chemical compound with molecular formula C16H18N2O and molecular weight 254.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-15-one
Also Known As: 8,9,10,11-Tetrahydro-3-methyl-1H,7H-cyclohepta(4,5-b)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 1H,7H-Cyclohepta(4,5-b)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-methyl-, 3-Methyl-3,7,8,9,10,11-hexahydrocyclohepta[b]pyrrolo[1,2,3-de]quinoxalin-2(1H)-one, 3-methyl-8,9,10,11-tetrahydro-3H,7H-cyclohepta[4,5]pyrrolo[1,2,3-de]quinoxalin-2-one, 8,9,10,11-Tetrahydro-3-methyl-1H,7H-cyclohepta<4,5>pyrrolo(1,2,3-de)chinoxalin-2(3H)-on
| Molecular Formula | C16H18N2O |
|---|---|
| Molecular Weight | 254.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.1419 |
| Heavy Atoms | 19 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 53375-23-8 |
|---|---|
| SMILES | CC1C=CC2=NC3=C(CCCCC3)N4C2=C1C(=O)C4 |
| InChIKey | WWBQXFSGNKUTKA-UHFFFAOYSA-N |
Product Overview
RefChem:236860 (CAS 53375-23-8), with molecular formula C16H18N2O and molecular weight 254.14 g/mol. IUPAC: 13-methyl-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-15-one.
Chemical Property Profile of RefChem:236860
Property Insights of RefChem:236860
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:236860. With a topological polar surface area (TPSA) of 32.7 Ų, RefChem:236860 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:236860 has 0 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:236860?
The CAS number of RefChem:236860 is 53375-23-8.
What is the molecular formula of RefChem:236860?
The molecular formula of RefChem:236860 is C16H18N2O.
What is the molecular weight of RefChem:236860?
The molecular weight of RefChem:236860 is 254.14 g/mol.
Where can I buy RefChem:236860?
You can request a quote for RefChem:236860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236860?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.