Papaverine, phentolamine drug combination
TL;DR: Papaverine, phentolamine drug combination (CAS 122087-31-4) is a chemical compound with molecular formula C38H45ClN4O8S and molecular weight 752.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;methanesulfonic acid;hydrochloride
Also Known As: Papaverine / phentolamine, papaverine - phentolamine, BY023, Papaverine-phentolamine combination, BY 023
| Molecular Formula | C38H45ClN4O8S |
|---|---|
| Molecular Weight | 752.26 g/mol |
| LogP | 6.62622 |
| Topological Polar Surface Area | 152.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 752.26465 |
| Heavy Atoms | 52 |
| Complexity | 2053.192 |
Chemical Identifiers
| CAS Number | 122087-31-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.CS(=O)(=O)O.Cl |
Product Overview
Papaverine, phentolamine drug combination (CAS 122087-31-4), with molecular formula C38H45ClN4O8S and molecular weight 752.26 g/mol. IUPAC: 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;methanesulfonic acid;hydrochloride.
Chemical Property Profile of Papaverine, phentolamine drug combination
Property Insights of Papaverine, phentolamine drug combination
The XLogP value of 6.62622 indicates that Papaverine, phentolamine drug combination is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.04 Ų indicates high polarity, suggesting Papaverine, phentolamine drug combination may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Papaverine, phentolamine drug combination has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Papaverine, phentolamine drug combination?
The CAS number of Papaverine, phentolamine drug combination is 122087-31-4.
What is the molecular formula of Papaverine, phentolamine drug combination?
The molecular formula of Papaverine, phentolamine drug combination is C38H45ClN4O8S.
What is the molecular weight of Papaverine, phentolamine drug combination?
The molecular weight of Papaverine, phentolamine drug combination is 752.26 g/mol.
Where can I buy Papaverine, phentolamine drug combination?
You can request a quote for Papaverine, phentolamine drug combination directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Papaverine, phentolamine drug combination?
Yes, KEHONG BIO provides custom synthesis services for Papaverine, phentolamine drug combination and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.