J86.379C
TL;DR: J86.379C (CAS 78945-87-6) is a chemical compound with molecular formula C24H29N3O2 and molecular weight 391.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(diethylamino)propyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
Also Known As: N-[3-(diethylamino)propyl]-2-methyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxamide, 3-ISOQUINOLINECARBOXAMIDE, 1,2-DIHYDRO-N-(3-(DIETHYLAMINO)PROPYL)-2-METHYL-1-OXO, N-[3-(Diethylamino)propyl]-2-methyl-1-oxo-4-phenyl-1,2-dihydro-3-isoquinolinecarboxamide, N-[3-(diethylamino)propyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
| Molecular Formula | C24H29N3O2 |
|---|---|
| Molecular Weight | 391.23 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.22598 |
| Heavy Atoms | 29 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 78945-87-6 |
|---|---|
| SMILES | CCN(CC)CCCNC(=O)C1=C(C2=CC=CC=C2C(=O)N1C)C3=CC=CC=C3 |
| InChIKey | INNMZADRDYDVPF-UHFFFAOYSA-N |
Product Overview
J86.379C (CAS 78945-87-6), with molecular formula C24H29N3O2 and molecular weight 391.23 g/mol. IUPAC: N-[3-(diethylamino)propyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide.
Chemical Property Profile of J86.379C
Property Insights of J86.379C
The XLogP value of 3.3 indicates that J86.379C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.7 Ų, J86.379C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J86.379C 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 J86.379C?
The CAS number of J86.379C is 78945-87-6.
What is the molecular formula of J86.379C?
The molecular formula of J86.379C is C24H29N3O2.
What is the molecular weight of J86.379C?
The molecular weight of J86.379C is 391.23 g/mol.
Where can I buy J86.379C?
You can request a quote for J86.379C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J86.379C?
Yes, KEHONG BIO provides custom synthesis services for J86.379C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.