ChemDiv3_012958
TL;DR: ChemDiv3_012958 (CAS 680603-89-8) is a chemical compound with molecular formula C26H27ClN2O5 and molecular weight 482.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
Also Known As: ChemDiv3_012958, F0535-0196, BRD-A32909709-001-01-3, N-(4-chlorophenyl)-6,7-dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide, N-(4-chlorophenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
| Molecular Formula | C26H27ClN2O5 |
|---|---|
| Molecular Weight | 482.16 g/mol |
| LogP | 5.5761 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.16086 |
| Heavy Atoms | 34 |
| Complexity | 1135.178 |
Chemical Identifiers
| CAS Number | 680603-89-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)NC4=CC=C(C=C4)Cl)OC)OC |
Product Overview
ChemDiv3_012958 (CAS 680603-89-8), with molecular formula C26H27ClN2O5 and molecular weight 482.16 g/mol. IUPAC: N-(4-chlorophenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
Chemical Property Profile of ChemDiv3_012958
Property Insights of ChemDiv3_012958
The XLogP value of 5.5761 indicates that ChemDiv3_012958 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012958. Following Lipinski's Rule of Five, ChemDiv3_012958 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_012958?
The CAS number of ChemDiv3_012958 is 680603-89-8.
What is the molecular formula of ChemDiv3_012958?
The molecular formula of ChemDiv3_012958 is C26H27ClN2O5.
What is the molecular weight of ChemDiv3_012958?
The molecular weight of ChemDiv3_012958 is 482.16 g/mol.
Where can I buy ChemDiv3_012958?
You can request a quote for ChemDiv3_012958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012958?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.