broadcillin
TL;DR: broadcillin (CAS 8067-85-4) is a chemical compound with molecular formula C35H38N6O9S2 and molecular weight 750.21 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)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: broadcillin, ampiox, Ampicillin-oxacillin mixture, Oxacillin-ampicillin mixture, Ampicillin mixture with oxacillin
| Molecular Formula | C35H38N6O9S2 |
|---|---|
| Molecular Weight | 750.21 g/mol |
| LogP | 2.21 |
| Topological Polar Surface Area | 276.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 750.2142 |
| Heavy Atoms | 52 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 8067-85-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)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 | ZJZHQGPJCMNEDT-TWZKVBNYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
broadcillin (CAS 8067-85-4), with molecular formula C35H38N6O9S2 and molecular weight 750.21 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)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of broadcillin
Property Insights of broadcillin
The XLogP value of 2.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for broadcillin. The TPSA of 276.0 Ų indicates high polarity, suggesting broadcillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, broadcillin 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 broadcillin?
The CAS number of broadcillin is 8067-85-4.
What is the molecular formula of broadcillin?
The molecular formula of broadcillin is C35H38N6O9S2.
What is the molecular weight of broadcillin?
The molecular weight of broadcillin is 750.21 g/mol.
Where can I buy broadcillin?
You can request a quote for broadcillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for broadcillin?
Yes, KEHONG BIO provides custom synthesis services for broadcillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.