TRICHLOROETHYL6- PENICILLANATES-OXIDE
TL;DR: TRICHLOROETHYL6- PENICILLANATES-OXIDE (CAS 27255-71-6) is a chemical compound with molecular formula C18H19Cl3N2O5S and molecular weight 480.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl (2S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: TRICHLOROETHYL6- PENICILLANATES-OXIDE, J1.404.837E, 2,2,2-trichloroethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide, 2,2,2-trichloroethyl (2S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4, (2S,5R)-2beta-(2,2,2-Trichloroethoxycarbonyl)-3,3-dimethyl-6alpha-(phenylacetylamino)-7-oxo-1-aza-4-thiabicyclo[3.2.0]heptane4-oxide
| Molecular Formula | C18H19Cl3N2O5S |
|---|---|
| Molecular Weight | 480.01 g/mol |
| LogP | 1.7051 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.00803 |
| Heavy Atoms | 29 |
| Complexity | 858.8026 |
Chemical Identifiers
| CAS Number | 27255-71-6 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1=O)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OCC(Cl)(Cl)Cl)C |
Product Overview
TRICHLOROETHYL6- PENICILLANATES-OXIDE (CAS 27255-71-6), with molecular formula C18H19Cl3N2O5S and molecular weight 480.01 g/mol. IUPAC: 2,2,2-trichloroethyl (2S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of TRICHLOROETHYL6- PENICILLANATES-OXIDE
Property Insights of TRICHLOROETHYL6- PENICILLANATES-OXIDE
The XLogP value of 1.7051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TRICHLOROETHYL6- PENICILLANATES-OXIDE. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for TRICHLOROETHYL6- PENICILLANATES-OXIDE. Following Lipinski's Rule of Five, TRICHLOROETHYL6- PENICILLANATES-OXIDE has 1 hydrogen bond donor(s) and 5 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 TRICHLOROETHYL6- PENICILLANATES-OXIDE?
The CAS number of TRICHLOROETHYL6- PENICILLANATES-OXIDE is 27255-71-6.
What is the molecular formula of TRICHLOROETHYL6- PENICILLANATES-OXIDE?
The molecular formula of TRICHLOROETHYL6- PENICILLANATES-OXIDE is C18H19Cl3N2O5S.
What is the molecular weight of TRICHLOROETHYL6- PENICILLANATES-OXIDE?
The molecular weight of TRICHLOROETHYL6- PENICILLANATES-OXIDE is 480.01 g/mol.
Where can I buy TRICHLOROETHYL6- PENICILLANATES-OXIDE?
You can request a quote for TRICHLOROETHYL6- PENICILLANATES-OXIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TRICHLOROETHYL6- PENICILLANATES-OXIDE?
Yes, KEHONG BIO provides custom synthesis services for TRICHLOROETHYL6- PENICILLANATES-OXIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.