Compenamine
TL;DR: Compenamine (CAS 7177-43-7) is a chemical compound with molecular formula C31H35N3O5S and molecular weight 561.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-(methylamino)-1,2-diphenylethanol
Also Known As: Compenamine, Ephenamine penicilline, l-Ephenamine penicillin G, (-)-Ephenamine penicillin G, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-(methylamino)-1,2-diphenylethanol
| Molecular Formula | C31H35N3O5S |
|---|---|
| Molecular Weight | 561.23 g/mol |
| LogP | 3.5415 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 561.22974 |
| Heavy Atoms | 40 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 7177-43-7 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CNC(C1=CC=CC=C1)C(C2=CC=CC=C2)O |
| InChIKey | XQBNHSTXTGKXIL-LQDWTQKMSA-N |
Product Overview
Compenamine (CAS 7177-43-7), with molecular formula C31H35N3O5S and molecular weight 561.23 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-(methylamino)-1,2-diphenylethanol.
Chemical Property Profile of Compenamine
Property Insights of Compenamine
The XLogP value of 3.5415 indicates that Compenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Compenamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Compenamine has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Compenamine?
The CAS number of Compenamine is 7177-43-7.
What is the molecular formula of Compenamine?
The molecular formula of Compenamine is C31H35N3O5S.
What is the molecular weight of Compenamine?
The molecular weight of Compenamine is 561.23 g/mol.
Where can I buy Compenamine?
You can request a quote for Compenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compenamine?
Yes, KEHONG BIO provides custom synthesis services for Compenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.