(3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone
TL;DR: (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone (CAS 435273-18-0) is a chemical compound with molecular formula C12H14INO and molecular weight 315.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-iodo-4-methylphenyl)-pyrrolidin-1-ylmethanone
Also Known As: 1-(3-iodo-4-methylbenzoyl)pyrrolidine, (3-iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone, (3-iodo-4-methylphenyl)-pyrrolidin-1-ylmethanone
| Molecular Formula | C12H14INO |
|---|---|
| Molecular Weight | 315.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.01202 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 435273-18-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCCC2)I |
| InChIKey | PHDZGBPNBLHTJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone (CAS 435273-18-0), with molecular formula C12H14INO and molecular weight 315.01 g/mol. IUPAC: (3-iodo-4-methylphenyl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone
Property Insights of (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone. With a topological polar surface area (TPSA) of 20.3 Ų, (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone has 0 hydrogen bond donor(s) and 1 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 (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone?
The CAS number of (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone is 435273-18-0.
What is the molecular formula of (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone?
The molecular formula of (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone is C12H14INO.
What is the molecular weight of (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone?
The molecular weight of (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone is 315.01 g/mol.
Where can I buy (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone?
You can request a quote for (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Iodo-4-methylphenyl)(pyrrolidin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.