Bacmecillinam
TL;DR: Bacmecillinam (CAS 50846-45-2) is a chemical compound with molecular formula C20H31N3O6S and molecular weight 441.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Bacmecillinam, Bacmecillinamum, Bacmecilinamo, Bacmecilinam, Bacmecillinam [INN]
| Molecular Formula | C20H31N3O6S |
|---|---|
| Molecular Weight | 441.19 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.19336 |
| Heavy Atoms | 30 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 50846-45-2 |
|---|---|
| SMILES | CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2N=CN3CCCCCC3)(C)C |
| InChIKey | XHKFBADIZIDYBU-UCMJJCQDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bacmecillinam (CAS 50846-45-2), with molecular formula C20H31N3O6S and molecular weight 441.19 g/mol. IUPAC: 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of Bacmecillinam
Property Insights of Bacmecillinam
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bacmecillinam. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bacmecillinam. Following Lipinski's Rule of Five, Bacmecillinam has 0 hydrogen bond donor(s) and 8 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 Bacmecillinam?
The CAS number of Bacmecillinam is 50846-45-2.
What is the molecular formula of Bacmecillinam?
The molecular formula of Bacmecillinam is C20H31N3O6S.
What is the molecular weight of Bacmecillinam?
The molecular weight of Bacmecillinam is 441.19 g/mol.
Where can I buy Bacmecillinam?
You can request a quote for Bacmecillinam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bacmecillinam?
Yes, KEHONG BIO provides custom synthesis services for Bacmecillinam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.