A4071/0173464
TL;DR: A4071/0173464 (CAS 881599-16-2) is a chemical compound with molecular formula C34H35NO5S and molecular weight 569.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzylsulfanylphenyl)-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Also Known As: A4071/0173464, (2-benzylsulfanylphenyl)-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone, [2-(benzylsulfanyl)phenyl][1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]methanone, 2-[2-(BENZYLSULFANYL)BENZOYL]-1-[(3,4-DIMETHOXYPHENYL)METHYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE, 2-[2-(benzylthio)benzoyl]-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C34H35NO5S |
|---|---|
| Molecular Weight | 569.22 g/mol |
| LogP | 6.9956 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 569.2236 |
| Heavy Atoms | 41 |
| Complexity | 1506.7357 |
Chemical Identifiers
| CAS Number | 881599-16-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4SCC5=CC=CC=C5)OC)OC)OC |
Product Overview
A4071/0173464 (CAS 881599-16-2), with molecular formula C34H35NO5S and molecular weight 569.22 g/mol. IUPAC: (2-benzylsulfanylphenyl)-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
Chemical Property Profile of A4071/0173464
Property Insights of A4071/0173464
The XLogP value of 6.9956 indicates that A4071/0173464 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, A4071/0173464 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4071/0173464 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 A4071/0173464?
The CAS number of A4071/0173464 is 881599-16-2.
What is the molecular formula of A4071/0173464?
The molecular formula of A4071/0173464 is C34H35NO5S.
What is the molecular weight of A4071/0173464?
The molecular weight of A4071/0173464 is 569.22 g/mol.
Where can I buy A4071/0173464?
You can request a quote for A4071/0173464 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4071/0173464?
Yes, KEHONG BIO provides custom synthesis services for A4071/0173464 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.