巴氨西林
TL;DR: 巴氨西林 (CAS 50972-17-3) is a chemical compound with molecular formula C21H27N3O7S and molecular weight 465.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巴氨西林
1-ethoxycarbonyloxyethyl 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: bacampicillin, 1-[(Ethoxycarbonyl)oxy]ethyl 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, 1-[(Ethoxycarbonyl)oxy]ethyl 6-[2-amino(phenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, 1-[(ethoxycarbonyl)oxy]ethyl 6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Molecular Formula | C21H27N3O7S |
|---|---|
| Molecular Weight | 465.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 465.15698 |
| Heavy Atoms | 32 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 50972-17-3 |
|---|---|
| SMILES | CCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2NC(=O)C(C3=CC=CC=C3)N)(C)C |
| InChIKey | PFOLLRNADZZWEX-UHFFFAOYSA-N |
Product Overview
巴氨西林 (CAS 50972-17-3), with molecular formula C21H27N3O7S and molecular weight 465.16 g/mol. IUPAC: 1-ethoxycarbonyloxyethyl 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of 巴氨西林
Property Insights of 巴氨西林
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 巴氨西林. The TPSA of 163.0 Ų indicates high polarity, suggesting 巴氨西林 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 巴氨西林 has 2 hydrogen bond donor(s) and 9 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 巴氨西林?
The CAS number of 巴氨西林 is 50972-17-3.
What is the molecular formula of 巴氨西林?
The molecular formula of 巴氨西林 is C21H27N3O7S.
What is the molecular weight of 巴氨西林?
The molecular weight of 巴氨西林 is 465.16 g/mol.
Where can I buy 巴氨西林?
You can request a quote for 巴氨西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巴氨西林?
Yes, KEHONG BIO provides custom synthesis services for 巴氨西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.