Ro 03-4661
TL;DR: Ro 03-4661 (CAS 38085-19-7) is a chemical compound with molecular formula C29H42ClNO4 and molecular weight 503.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(3,4-dimethylphenyl)-4-methylpentyl] acetate;hydrochloride
Also Known As: Ro 03-4661, alpha(1-(3,4-Dihydro-6,7-dimethoxy-1-methyl-2-(lH)-isoquinolyl)-methyl)-3'-methyl butyl-3,4-dimethyl benzyl acetate, [2-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(3,4-dimethylphenyl)-4-methylpentyl] acetate;hydrochloride, 2(1H)-Isoquinolinepropanol, alpha-(3,4-dimethylphenyl)-3,4-dihydro-6,7-dimethoxy-1-methyl-beta-(2-methylpropyl)-, acetate (ester), hydrochloride, [2-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(3,4-dimethylphenyl)-4-methylpentyl] acetate hydrochloride
| Molecular Formula | C29H42ClNO4 |
|---|---|
| Molecular Weight | 503.28 g/mol |
| LogP | 6.62824 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 503.28024 |
| Heavy Atoms | 35 |
| Complexity | 1006.41656 |
Chemical Identifiers
| CAS Number | 38085-19-7 |
|---|---|
| SMILES | CC1C2=CC(=C(C=C2CCN1CC(CC(C)C)C(C3=CC(=C(C=C3)C)C)OC(=O)C)OC)OC.Cl |
Product Overview
Ro 03-4661 (CAS 38085-19-7), with molecular formula C29H42ClNO4 and molecular weight 503.28 g/mol. IUPAC: [2-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(3,4-dimethylphenyl)-4-methylpentyl] acetate;hydrochloride.
Chemical Property Profile of Ro 03-4661
Property Insights of Ro 03-4661
The XLogP value of 6.62824 indicates that Ro 03-4661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, Ro 03-4661 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 03-4661 has 0 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 Ro 03-4661?
The CAS number of Ro 03-4661 is 38085-19-7.
What is the molecular formula of Ro 03-4661?
The molecular formula of Ro 03-4661 is C29H42ClNO4.
What is the molecular weight of Ro 03-4661?
The molecular weight of Ro 03-4661 is 503.28 g/mol.
Where can I buy Ro 03-4661?
You can request a quote for Ro 03-4661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 03-4661?
Yes, KEHONG BIO provides custom synthesis services for Ro 03-4661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.