Bacmecillinam hydrochloride
TL;DR: Bacmecillinam hydrochloride (CAS 76996-24-2) is a chemical compound with molecular formula C20H32ClN3O6S and molecular weight 477.17 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;hydrochloride
Also Known As: Bacmecillinam hydrochloride, Bacmecillinam HCl, 1'-Ethoxycarbonyloxyethyl 6-beta-((hexahydro-1H-azepin-1-yl)methyleneamino)penicillanate HCl, 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-, 1-((ethoxycarbonyl)oxy)ethyl ester, (2S-(2-alpha,5-alpha,6-beta))-, hydrochloride
| Molecular Formula | C20H32ClN3O6S |
|---|---|
| Molecular Weight | 477.17 g/mol |
| LogP | 2.8057 |
| Topological Polar Surface Area | 97.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.17004 |
| Heavy Atoms | 31 |
| Complexity | 698.40265 |
Chemical Identifiers
| CAS Number | 76996-24-2 |
|---|---|
| SMILES | CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2N=CN3CCCCCC3)(C)C.Cl |
Product Overview
Bacmecillinam hydrochloride (CAS 76996-24-2), with molecular formula C20H32ClN3O6S and molecular weight 477.17 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;hydrochloride.
Chemical Property Profile of Bacmecillinam hydrochloride
Property Insights of Bacmecillinam hydrochloride
The XLogP value of 2.8057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bacmecillinam hydrochloride. The TPSA of 97.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Bacmecillinam hydrochloride. Following Lipinski's Rule of Five, Bacmecillinam hydrochloride 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 hydrochloride?
The CAS number of Bacmecillinam hydrochloride is 76996-24-2.
What is the molecular formula of Bacmecillinam hydrochloride?
The molecular formula of Bacmecillinam hydrochloride is C20H32ClN3O6S.
What is the molecular weight of Bacmecillinam hydrochloride?
The molecular weight of Bacmecillinam hydrochloride is 477.17 g/mol.
Where can I buy Bacmecillinam hydrochloride?
You can request a quote for Bacmecillinam hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bacmecillinam hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Bacmecillinam hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.