(1) Penethamate hydriodide
TL;DR: (1) Penethamate hydriodide (CAS 7778-19-0) is a chemical compound with molecular formula C22H31N3O4S and molecular weight 433.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Penethamate, Ephicillin, Penethamate Hydriodide, (1) penethamate hydriodide, 2-(Diethylamino)ethyl 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Molecular Formula | C22H31N3O4S |
|---|---|
| Molecular Weight | 433.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 433.20352 |
| Heavy Atoms | 30 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 7778-19-0 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C |
| InChIKey | AFKRZUUZFWTBCC-UHFFFAOYSA-N |
Product Overview
(1) Penethamate hydriodide (CAS 7778-19-0), with molecular formula C22H31N3O4S and molecular weight 433.20 g/mol. IUPAC: 2-(diethylamino)ethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of (1) Penethamate hydriodide
Property Insights of (1) Penethamate hydriodide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1) Penethamate hydriodide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1) Penethamate hydriodide. Following Lipinski's Rule of Five, (1) Penethamate hydriodide has 1 hydrogen bond donor(s) and 6 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 (1) Penethamate hydriodide?
The CAS number of (1) Penethamate hydriodide is 7778-19-0.
What is the molecular formula of (1) Penethamate hydriodide?
The molecular formula of (1) Penethamate hydriodide is C22H31N3O4S.
What is the molecular weight of (1) Penethamate hydriodide?
The molecular weight of (1) Penethamate hydriodide is 433.20 g/mol.
Where can I buy (1) Penethamate hydriodide?
You can request a quote for (1) Penethamate hydriodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1) Penethamate hydriodide?
Yes, KEHONG BIO provides custom synthesis services for (1) Penethamate hydriodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.