3-氯丁酰胺
TL;DR: 3-氯丁酰胺 (CAS 500790-37-4) is a chemical compound with molecular formula C4H8ClNO and molecular weight 121.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯丁酰胺
3-chlorobutanamide
Also Known As: 3-chlorobutanamide, NCIOpen2_003613, 840-522-3, RefChem:500470
| Molecular Formula | C4H8ClNO |
|---|---|
| Molecular Weight | 121.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 121.02944 |
| Heavy Atoms | 7 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 500790-37-4 |
|---|---|
| SMILES | CC(CC(=O)N)Cl |
| InChIKey | ZXOYRIKNGSRDPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯丁酰胺 (CAS 500790-37-4), with molecular formula C4H8ClNO and molecular weight 121.03 g/mol. IUPAC: 3-chlorobutanamide.
Chemical Property Profile of 3-氯丁酰胺
Property Insights of 3-氯丁酰胺
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯丁酰胺. With a topological polar surface area (TPSA) of 43.1 Ų, 3-氯丁酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯丁酰胺 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-氯丁酰胺?
The CAS number of 3-氯丁酰胺 is 500790-37-4.
What is the molecular formula of 3-氯丁酰胺?
The molecular formula of 3-氯丁酰胺 is C4H8ClNO.
What is the molecular weight of 3-氯丁酰胺?
The molecular weight of 3-氯丁酰胺 is 121.03 g/mol.
Where can I buy 3-氯丁酰胺?
You can request a quote for 3-氯丁酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯丁酰胺?
Yes, KEHONG BIO provides custom synthesis services for 3-氯丁酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.