ASN 13558080
TL;DR: ASN 13558080 (CAS 879614-55-8) is a chemical compound with molecular formula C21H20N2O and molecular weight 316.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-9-(2-methylphenyl)-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ASN 13558080, 11-methyl-3-(2-methylphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-Methyl-3-o-tolyl-2,3,4,5-tetrahydro-dibenzo[b,e][1,4]diazepin-1-one, 11-methyl-3-(2-methylphenyl)-2,3,4-trihydro-5H-benzo[b]benzo[2,1-f]1,4-diazepi n-1-one, 11-methyl-3-(2-methylphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
| Molecular Formula | C21H20N2O |
|---|---|
| Molecular Weight | 316.16 g/mol |
| LogP | 4.91372 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.15756 |
| Heavy Atoms | 24 |
| Complexity | 892.2167 |
Chemical Identifiers
| CAS Number | 879614-55-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C2CC3=NC4=CC=CC=C4NC(=C3C(=O)C2)C |
Product Overview
ASN 13558080 (CAS 879614-55-8), with molecular formula C21H20N2O and molecular weight 316.16 g/mol. IUPAC: 6-methyl-9-(2-methylphenyl)-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ASN 13558080
Property Insights of ASN 13558080
The XLogP value of 4.91372 indicates that ASN 13558080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.46 Ų, ASN 13558080 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ASN 13558080 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 ASN 13558080?
The CAS number of ASN 13558080 is 879614-55-8.
What is the molecular formula of ASN 13558080?
The molecular formula of ASN 13558080 is C21H20N2O.
What is the molecular weight of ASN 13558080?
The molecular weight of ASN 13558080 is 316.16 g/mol.
Where can I buy ASN 13558080?
You can request a quote for ASN 13558080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 13558080?
Yes, KEHONG BIO provides custom synthesis services for ASN 13558080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.