阿扑西林
TL;DR: 阿扑西林 (CAS 63358-49-6) is a chemical compound with molecular formula C21H27N5O7S and molecular weight 493.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿扑西林
6-[[2-[[2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: aspoxicillin, Aspoxicilline, Aspoxicillinum, Aspoxicilina, Lecithovitellase
| Molecular Formula | C21H27N5O7S |
|---|---|
| Molecular Weight | 493.16 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.16312 |
| Heavy Atoms | 34 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 63358-49-6 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C(CC(=O)NC)N)C(=O)O)C |
| InChIKey | BHELIUBJHYAEDK-UHFFFAOYSA-N |
Product Overview
阿扑西林 (CAS 63358-49-6), with molecular formula C21H27N5O7S and molecular weight 493.16 g/mol. IUPAC: 6-[[2-[[2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 阿扑西林
Property Insights of 阿扑西林
The XLogP value of -3.4 indicates that 阿扑西林 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 216.0 Ų indicates high polarity, suggesting 阿扑西林 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 阿扑西林 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 阿扑西林?
The CAS number of 阿扑西林 is 63358-49-6.
What is the molecular formula of 阿扑西林?
The molecular formula of 阿扑西林 is C21H27N5O7S.
What is the molecular weight of 阿扑西林?
The molecular weight of 阿扑西林 is 493.16 g/mol.
Where can I buy 阿扑西林?
You can request a quote for 阿扑西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿扑西林?
Yes, KEHONG BIO provides custom synthesis services for 阿扑西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.