α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸
TL;DR: α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸 (CAS 52583-41-2) is a chemical compound with molecular formula C5H7ClN2O3 and molecular weight 178.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸
2-amino-2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
Also Known As: acivicin, Acivicine, Acivicin [USAN:INN], Antibiotic AT 125, Acivicine [INN-French]
| Molecular Formula | C5H7ClN2O3 |
|---|---|
| Molecular Weight | 178.01 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.01453 |
| Heavy Atoms | 11 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 52583-41-2 |
|---|---|
| SMILES | C1C(ON=C1Cl)C(C(=O)O)N |
| InChIKey | QAWIHIJWNYOLBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸 (CAS 52583-41-2), with molecular formula C5H7ClN2O3 and molecular weight 178.01 g/mol. IUPAC: 2-amino-2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)acetic acid.
Chemical Property Profile of α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸
Property Insights of α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸
The XLogP value of -2.7 indicates that α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸. Following Lipinski's Rule of Five, α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸 has 2 hydrogen bond donor(s) and 5 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 α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸?
The CAS number of α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸 is 52583-41-2.
What is the molecular formula of α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸?
The molecular formula of α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸 is C5H7ClN2O3.
What is the molecular weight of α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸?
The molecular weight of α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸 is 178.01 g/mol.
Where can I buy α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸?
You can request a quote for α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸?
Yes, KEHONG BIO provides custom synthesis services for α-氨基-3-氯-4,5-二氢异噁唑-5-基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.