Deacetoxycephalothin
TL;DR: Deacetoxycephalothin (CAS 34691-02-6) is a chemical compound with molecular formula C14H14N2O4S2 and molecular weight 338.0395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-3-methyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Deacetoxycephalothin, Cefalotin EP Impurity A, Cefalotin Impurity A, KST-1A4176, J1.584.490F
Technical Specifications
| Molecular Formula | C14H14N2O4S2 |
| Molecular Weight | 338.0395 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.0395 Da |
| Heavy Atoms | 22 |
| Complexity | 563.0 |
| SMILES | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O |
| InChIKey | KCCXIEAFHKKZLW-ZWNOBZJWSA-N |
Chemical Property Profile of Deacetoxycephalothin
Property Insights of Deacetoxycephalothin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deacetoxycephalothin. The TPSA of 140.0 Ų indicates high polarity, suggesting Deacetoxycephalothin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deacetoxycephalothin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Deacetoxycephalothin?
The CAS number of Deacetoxycephalothin is 34691-02-6.
What is the molecular formula of Deacetoxycephalothin?
The molecular formula of Deacetoxycephalothin is C14H14N2O4S2.
What is the molecular weight of Deacetoxycephalothin?
The molecular weight of Deacetoxycephalothin is 338.0395 g/mol.
Where can I buy Deacetoxycephalothin?
You can request a quote for Deacetoxycephalothin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Deacetoxycephalothin?
Yes, CoreyChem provides custom synthesis services for Deacetoxycephalothin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.