4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid
TL;DR: 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid (CAS 63887-33-2) is a chemical compound with molecular formula C10H8Cl2N2O and molecular weight 242.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3,5-dichloro-N-prop-2-ynylbenzamide
Also Known As: 4-Amino-3,5-dichloro-N- benzamide, N-(2-Propynyl)-4-amino-3,5-dichlorobenzamide, 4-amino-3,5-dichloro-N-prop-2-ynylbenzamide, 4-Amino-3,5-dichloro-N-(2-propynyl)benzamide, 4-amino-3,5-dichloro-N-prop-2-ynyl-benzamide
| Molecular Formula | C10H8Cl2N2O |
|---|---|
| Molecular Weight | 242.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.00137 |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 63887-33-2 |
|---|---|
| SMILES | C#CCNC(=O)C1=CC(=C(C(=C1)Cl)N)Cl |
| InChIKey | BGIMIQVIRVHWFQ-UHFFFAOYSA-N |
Product Overview
4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid (CAS 63887-33-2), with molecular formula C10H8Cl2N2O and molecular weight 242.00 g/mol. IUPAC: 4-amino-3,5-dichloro-N-prop-2-ynylbenzamide.
Chemical Property Profile of 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid
Property Insights of 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid has 2 hydrogen bond donor(s) and 2 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 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid?
The CAS number of 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid is 63887-33-2.
What is the molecular formula of 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid?
The molecular formula of 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid is C10H8Cl2N2O.
What is the molecular weight of 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid?
The molecular weight of 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid is 242.00 g/mol.
Where can I buy 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid?
You can request a quote for 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3,5-dichloro-N-(prop-2-yn-1-yl)benzene-1-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.