RefChem:1075749
TL;DR: RefChem:1075749 (CAS 3212-45-1) is a chemical compound with molecular formula C27H30ClNO3 and molecular weight 451.1914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-phenylmethoxyacetate chloride
Also Known As: Acetic acid, 2-benzyloxy-2,2-diphenyl-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrochloride, 2-Benzyloxy-2,2-diphenylacetic acid (1-methyl-2-pyrrolidinyl)methyl ester hydrochloride, Acetic acid, (benzyloxy)diphenyl-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrochloride, (1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-phenylmethoxyacetate chloride
Technical Specifications
| Molecular Formula | C27H30ClNO3 |
| Molecular Weight | 451.1914 g/mol |
| XLogP | 0.37 |
| Topological Polar Surface Area (TPSA) | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.1914 Da |
| Heavy Atoms | 32 |
| Complexity | 529.0 |
| SMILES | C[NH+]1CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4=CC=CC=C4.[Cl-] |
| InChIKey | KHZOVTCGYKJECR-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1075749
Property Insights of RefChem:1075749
The XLogP value of 0.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075749. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:1075749 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075749 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1075749?
The CAS number of RefChem:1075749 is 3212-45-1.
What is the molecular formula of RefChem:1075749?
The molecular formula of RefChem:1075749 is C27H30ClNO3.
What is the molecular weight of RefChem:1075749?
The molecular weight of RefChem:1075749 is 451.1914 g/mol.
Where can I buy RefChem:1075749?
You can request a quote for RefChem:1075749 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1075749?
Yes, CoreyChem provides custom synthesis services for RefChem:1075749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.