Benzenebutanamide, 3-chloro-4-(1-methylethyl)-
TL;DR: Benzenebutanamide, 3-chloro-4-(1-methylethyl)- (CAS 37707-79-2) is a chemical compound with molecular formula C13H18ClNO and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-propan-2-ylphenyl)butanamide
Also Known As: Benzenebutanamide, 3-chloro-4-(1-methylethyl)-, 3-Chloro-4-(1-methylethyl)benzenebutanamide, 4-[3-chloro-4-(propan-2-yl)phenyl]butanamide, (Isopropyl-4 chloro-3 phenyl)-4 butyramide, 4-(3-chloro-4-propan-2-ylphenyl)butanamide
| Molecular Formula | C13H18ClNO |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.1077 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 37707-79-2 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)CCCC(=O)N)Cl |
| InChIKey | TWLKBPUFISPONY-UHFFFAOYSA-N |
Product Overview
Benzenebutanamide, 3-chloro-4-(1-methylethyl)- (CAS 37707-79-2), with molecular formula C13H18ClNO and molecular weight 239.11 g/mol. IUPAC: 4-(3-chloro-4-propan-2-ylphenyl)butanamide.
Chemical Property Profile of Benzenebutanamide, 3-chloro-4-(1-methylethyl)-
Property Insights of Benzenebutanamide, 3-chloro-4-(1-methylethyl)-
The XLogP value of 3.1 indicates that Benzenebutanamide, 3-chloro-4-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, Benzenebutanamide, 3-chloro-4-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenebutanamide, 3-chloro-4-(1-methylethyl)- 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 Benzenebutanamide, 3-chloro-4-(1-methylethyl)-?
The CAS number of Benzenebutanamide, 3-chloro-4-(1-methylethyl)- is 37707-79-2.
What is the molecular formula of Benzenebutanamide, 3-chloro-4-(1-methylethyl)-?
The molecular formula of Benzenebutanamide, 3-chloro-4-(1-methylethyl)- is C13H18ClNO.
What is the molecular weight of Benzenebutanamide, 3-chloro-4-(1-methylethyl)-?
The molecular weight of Benzenebutanamide, 3-chloro-4-(1-methylethyl)- is 239.11 g/mol.
Where can I buy Benzenebutanamide, 3-chloro-4-(1-methylethyl)-?
You can request a quote for Benzenebutanamide, 3-chloro-4-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanamide, 3-chloro-4-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanamide, 3-chloro-4-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.