L-Aspoxicillin trihydrate
TL;DR: L-Aspoxicillin trihydrate (CAS 63358-51-0) 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.
6-[[(1S)-2-[[(2S)-4-amino-2-(methylamino)-4-oxobutanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: L-Aspoxicillin trihydrate, ASPC, aspoxicillin, N-(N'-Methylasparaginyl)amoxicillin, N4-Methyl-D-asparaginylamoxicillin
| Molecular Formula | C21H27N5O7S |
|---|---|
| Molecular Weight | 493.16 g/mol |
| LogP | -1.3554 |
| Topological Polar Surface Area | 191.16 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.16312 |
| Heavy Atoms | 34 |
| Complexity | 1015.26953 |
Chemical Identifiers
| CAS Number | 63358-51-0 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)N[C@@H](C3=CC=C(C=C3)O)C(=O)NC(=O)[C@H](CC(=O)N)NC)C(=O)O)C |
Product Overview
L-Aspoxicillin trihydrate (CAS 63358-51-0), with molecular formula C21H27N5O7S and molecular weight 493.16 g/mol. IUPAC: 6-[[(1S)-2-[[(2S)-4-amino-2-(methylamino)-4-oxobutanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of L-Aspoxicillin trihydrate
Property Insights of L-Aspoxicillin trihydrate
The XLogP value of -1.3554 indicates that L-Aspoxicillin trihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.16 Ų indicates high polarity, suggesting L-Aspoxicillin trihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Aspoxicillin trihydrate 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 L-Aspoxicillin trihydrate?
The CAS number of L-Aspoxicillin trihydrate is 63358-51-0.
What is the molecular formula of L-Aspoxicillin trihydrate?
The molecular formula of L-Aspoxicillin trihydrate is C21H27N5O7S.
What is the molecular weight of L-Aspoxicillin trihydrate?
The molecular weight of L-Aspoxicillin trihydrate is 493.16 g/mol.
Where can I buy L-Aspoxicillin trihydrate?
You can request a quote for L-Aspoxicillin trihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Aspoxicillin trihydrate?
Yes, KEHONG BIO provides custom synthesis services for L-Aspoxicillin trihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.