N-Ethoxy-benzylpenicillinamide
TL;DR: N-Ethoxy-benzylpenicillinamide (CAS 22688-46-6) is a chemical compound with molecular formula C18H23N3O4S and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethoxy-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
Also Known As: N-Ethoxy-benzylpenicillinamide, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxamide, 3,3-dimethyl-N-ethoxy-7-oxo-6-(2-phenylacetamido)-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxamide, N-ethoxy-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-, [2S-(2.alpha.,5.alpha.,6.beta.)]-, N-ethoxy-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide, N-Ethoxy-6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboximidic acid
| Molecular Formula | C18H23N3O4S |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.14093 |
| Heavy Atoms | 26 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 22688-46-6 |
|---|---|
| SMILES | CCONC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C |
| InChIKey | FLOMJSVKTIIALC-UHFFFAOYSA-N |
Product Overview
N-Ethoxy-benzylpenicillinamide (CAS 22688-46-6), with molecular formula C18H23N3O4S and molecular weight 377.14 g/mol. IUPAC: N-ethoxy-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide.
Chemical Property Profile of N-Ethoxy-benzylpenicillinamide
Property Insights of N-Ethoxy-benzylpenicillinamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethoxy-benzylpenicillinamide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Ethoxy-benzylpenicillinamide. Following Lipinski's Rule of Five, N-Ethoxy-benzylpenicillinamide 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 N-Ethoxy-benzylpenicillinamide?
The CAS number of N-Ethoxy-benzylpenicillinamide is 22688-46-6.
What is the molecular formula of N-Ethoxy-benzylpenicillinamide?
The molecular formula of N-Ethoxy-benzylpenicillinamide is C18H23N3O4S.
What is the molecular weight of N-Ethoxy-benzylpenicillinamide?
The molecular weight of N-Ethoxy-benzylpenicillinamide is 377.14 g/mol.
Where can I buy N-Ethoxy-benzylpenicillinamide?
You can request a quote for N-Ethoxy-benzylpenicillinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethoxy-benzylpenicillinamide?
Yes, KEHONG BIO provides custom synthesis services for N-Ethoxy-benzylpenicillinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.