3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide
TL;DR: 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide (CAS 664368-41-6) is a chemical compound with molecular formula C13H13Cl2NO and molecular weight 269.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide
Also Known As: 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide, A2955/0124448, 3,4-DICHLORO-N~1~-(1-ETHYL-1-METHYL-2-PROPYNYL)BENZAMIDE
| Molecular Formula | C13H13Cl2NO |
|---|---|
| Molecular Weight | 269.04 g/mol |
| LogP | 3.5251 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.0374 |
| Heavy Atoms | 17 |
| Complexity | 478.79807 |
Chemical Identifiers
| CAS Number | 664368-41-6 |
|---|---|
| SMILES | CCC(C)(C#C)NC(=O)C1=CC(=C(C=C1)Cl)Cl |
Product Overview
3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide (CAS 664368-41-6), with molecular formula C13H13Cl2NO and molecular weight 269.04 g/mol. IUPAC: 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide.
Chemical Property Profile of 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide
Property Insights of 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide
The XLogP value of 3.5251 indicates that 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide 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 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide?
The CAS number of 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide is 664368-41-6.
What is the molecular formula of 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide?
The molecular formula of 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide is C13H13Cl2NO.
What is the molecular weight of 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide?
The molecular weight of 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide is 269.04 g/mol.
Where can I buy 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide?
You can request a quote for 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-(3-methylpent-1-yn-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.