EINECS 248-623-9
TL;DR: EINECS 248-623-9 (CAS 27726-32-5) is a chemical compound with molecular formula C14H20N2O5S and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropanoyloxymethyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: KST-1A3469, (Pivaloyloxy)methyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, [(2,2-dimethylpropanoyl)oxy]methyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, (PIVALOYLOXY)METHYL (6R-TRANS)-7-AMINO-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE, 2,2-dimethylpropanoyloxymethyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
| Molecular Formula | C14H20N2O5S |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.10928 |
| Heavy Atoms | 22 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 27726-32-5 |
|---|---|
| SMILES | CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCOC(=O)C(C)(C)C |
| InChIKey | WYCUHWBZAWSQBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EINECS 248-623-9 (CAS 27726-32-5), with molecular formula C14H20N2O5S and molecular weight 328.11 g/mol. IUPAC: 2,2-dimethylpropanoyloxymethyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of EINECS 248-623-9
Property Insights of EINECS 248-623-9
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 248-623-9. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 248-623-9. Following Lipinski's Rule of Five, EINECS 248-623-9 has 1 hydrogen bond donor(s) and 7 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 EINECS 248-623-9?
The CAS number of EINECS 248-623-9 is 27726-32-5.
What is the molecular formula of EINECS 248-623-9?
The molecular formula of EINECS 248-623-9 is C14H20N2O5S.
What is the molecular weight of EINECS 248-623-9?
The molecular weight of EINECS 248-623-9 is 328.11 g/mol.
Where can I buy EINECS 248-623-9?
You can request a quote for EINECS 248-623-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 248-623-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 248-623-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.