RefChem:318636
TL;DR: RefChem:318636 (CAS 66967-94-0) is a chemical compound with molecular formula C18H24BrN3O2 and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[[3-[methyl-(4-methylphenyl)carbamoyl]oxy-2-pyridinyl]methyl]azanium bromide
Also Known As: Ro 2-2007, Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, N-methyl-N-(p-tolyl)carbamate (ester), trimethyl-[[3-[methyl-(4-methylphenyl)carbamoyl]oxypyridin-2-yl]methyl]azanium bromide, AMMONIUM, ((3-HYDROXY-2-PYRIDYL)METHYL)TRIMETHYL-, BROMIDE, N-METHYL-N-(p-TOLYL), N,N,N-trimethyl(3-{[methyl(4-methylphenyl)carbamoyl]oxy}pyridin-2-yl)methanaminium bromide
| Molecular Formula | C18H24BrN3O2 |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 0.24 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.1052 |
| Heavy Atoms | 24 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 66967-94-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(C)C(=O)OC2=C(N=CC=C2)C[N+](C)(C)C.[Br-] |
| InChIKey | MPIQYPVPURRQQS-UHFFFAOYSA-M |
Product Overview
RefChem:318636 (CAS 66967-94-0), with molecular formula C18H24BrN3O2 and molecular weight 393.11 g/mol. IUPAC: trimethyl-[[3-[methyl-(4-methylphenyl)carbamoyl]oxy-2-pyridinyl]methyl]azanium bromide.
Chemical Property Profile of RefChem:318636
Property Insights of RefChem:318636
The XLogP value of 0.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318636. With a topological polar surface area (TPSA) of 42.4 Ų, RefChem:318636 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318636 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:318636?
The CAS number of RefChem:318636 is 66967-94-0.
What is the molecular formula of RefChem:318636?
The molecular formula of RefChem:318636 is C18H24BrN3O2.
What is the molecular weight of RefChem:318636?
The molecular weight of RefChem:318636 is 393.11 g/mol.
Where can I buy RefChem:318636?
You can request a quote for RefChem:318636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318636?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.