Combipenix
TL;DR: Combipenix (CAS 51004-51-4) is a chemical compound with molecular formula C35H36Cl2N6O9S2 and molecular weight 818.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Combipenix, Diamplicil, Totocillin, Ampicillin-dicloxacillin mixture, Ampicillin Mixture With Dicloxacillin
| Molecular Formula | C35H36Cl2N6O9S2 |
|---|---|
| Molecular Weight | 818.14 g/mol |
| LogP | 3.52 |
| Topological Polar Surface Area | 276.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 818.1362 |
| Heavy Atoms | 54 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 51004-51-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C |
| InChIKey | OUCSAWQVCBFKBN-TWZKVBNYSA-N |
Product Overview
Combipenix (CAS 51004-51-4), with molecular formula C35H36Cl2N6O9S2 and molecular weight 818.14 g/mol. IUPAC: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Combipenix
Property Insights of Combipenix
The XLogP value of 3.52 indicates that Combipenix is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 276.0 Ų indicates high polarity, suggesting Combipenix may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Combipenix has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Combipenix?
The CAS number of Combipenix is 51004-51-4.
What is the molecular formula of Combipenix?
The molecular formula of Combipenix is C35H36Cl2N6O9S2.
What is the molecular weight of Combipenix?
The molecular weight of Combipenix is 818.14 g/mol.
Where can I buy Combipenix?
You can request a quote for Combipenix directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Combipenix?
Yes, KEHONG BIO provides custom synthesis services for Combipenix and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.