3-iodo-4-methyl-N-prop-2-enylbenzamide
TL;DR: 3-iodo-4-methyl-N-prop-2-enylbenzamide (CAS 791795-72-7) is a chemical compound with molecular formula C11H12INO and molecular weight 301.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-4-methyl-N-prop-2-enylbenzamide
Also Known As: N-allyl-3-iodo-4-methylbenzamide, 3-iodo-4-methyl-N-prop-2-enylbenzamide, 3-iodo-4-methyl-N-(prop-2-en-1-yl)benzamide, (3-iodo-4-methylphenyl)-N-prop-2-enylcarboxamide, AN-329/42831260
| Molecular Formula | C11H12INO |
|---|---|
| Molecular Weight | 301.00 g/mol |
| LogP | 2.51542 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.99637 |
| Heavy Atoms | 14 |
| Complexity | 360.3052 |
Chemical Identifiers
| CAS Number | 791795-72-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NCC=C)I |
Product Overview
3-iodo-4-methyl-N-prop-2-enylbenzamide (CAS 791795-72-7), with molecular formula C11H12INO and molecular weight 301.00 g/mol. IUPAC: 3-iodo-4-methyl-N-prop-2-enylbenzamide.
Chemical Property Profile of 3-iodo-4-methyl-N-prop-2-enylbenzamide
Property Insights of 3-iodo-4-methyl-N-prop-2-enylbenzamide
The XLogP value of 2.51542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-iodo-4-methyl-N-prop-2-enylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, 3-iodo-4-methyl-N-prop-2-enylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-iodo-4-methyl-N-prop-2-enylbenzamide has 1 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-methyl-N-prop-2-enylbenzamide?
The CAS number of 3-iodo-4-methyl-N-prop-2-enylbenzamide is 791795-72-7.
What is the molecular formula of 3-iodo-4-methyl-N-prop-2-enylbenzamide?
The molecular formula of 3-iodo-4-methyl-N-prop-2-enylbenzamide is C11H12INO.
What is the molecular weight of 3-iodo-4-methyl-N-prop-2-enylbenzamide?
The molecular weight of 3-iodo-4-methyl-N-prop-2-enylbenzamide is 301.00 g/mol.
Where can I buy 3-iodo-4-methyl-N-prop-2-enylbenzamide?
You can request a quote for 3-iodo-4-methyl-N-prop-2-enylbenzamide 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-methyl-N-prop-2-enylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-iodo-4-methyl-N-prop-2-enylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.