RefChem:349916
TL;DR: RefChem:349916 (CAS 77172-81-7) is a chemical compound with molecular formula C36H46N2O5 and molecular weight 586.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-butyl-4-phenylpiperidin-4-yl)-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Also Known As: N-(1-Butyl-4-phenyl-4-piperidinyl)tetrahydropapaverine, Isoquinoline, 1,2,3,4-tetrahydro-2-((1-butyl-4-phenyl-4-piperidinyl)carbonyl)-6,7-dimethoxy-1-((3,4-dimethoxyphenyl)methyl)-, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-((1-BUTYL-4-PHENYL-4-PIPERIDINYL)CARBONYL)-6,, (1-butyl-4-phenylpiperidin-4-yl)-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone, (1-Butyl-4-phenylpiperidin-4-yl){1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}methanone
| Molecular Formula | C36H46N2O5 |
|---|---|
| Molecular Weight | 586.34 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 586.3407 |
| Heavy Atoms | 43 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 77172-81-7 |
|---|---|
| SMILES | CCCCN1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CCC4=CC(=C(C=C4C3CC5=CC(=C(C=C5)OC)OC)OC)OC |
| InChIKey | IJWIOLPQJVTSRT-UHFFFAOYSA-N |
Product Overview
RefChem:349916 (CAS 77172-81-7), with molecular formula C36H46N2O5 and molecular weight 586.34 g/mol. IUPAC: (1-butyl-4-phenylpiperidin-4-yl)-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
Chemical Property Profile of RefChem:349916
Property Insights of RefChem:349916
The XLogP value of 6.4 indicates that RefChem:349916 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349916. Following Lipinski's Rule of Five, RefChem:349916 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349916?
The CAS number of RefChem:349916 is 77172-81-7.
What is the molecular formula of RefChem:349916?
The molecular formula of RefChem:349916 is C36H46N2O5.
What is the molecular weight of RefChem:349916?
The molecular weight of RefChem:349916 is 586.34 g/mol.
Where can I buy RefChem:349916?
You can request a quote for RefChem:349916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349916?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.