舒他西林
TL;DR: 舒他西林 (CAS 76497-13-7) is a chemical compound with molecular formula C25H30N4O9S2 and molecular weight 594.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
舒他西林
(3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxymethyl 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Sultamicillin, sultamicilina, sultamicillinum, Sultamicillin Base, Sultamicilina [Spanish]
| Molecular Formula | C25H30N4O9S2 |
|---|---|
| Molecular Weight | 594.15 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 594.14545 |
| Heavy Atoms | 40 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 76497-13-7 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCOC(=O)C4C(S(=O)(=O)C5N4C(=O)C5)(C)C)C |
| InChIKey | OPYGFNJSCUDTBT-UHFFFAOYSA-N |
Product Overview
舒他西林 (CAS 76497-13-7), with molecular formula C25H30N4O9S2 and molecular weight 594.15 g/mol. IUPAC: (3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxymethyl 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 舒他西林
Property Insights of 舒他西林
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 舒他西林. The TPSA of 216.0 Ų indicates high polarity, suggesting 舒他西林 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 舒他西林 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 舒他西林?
The CAS number of 舒他西林 is 76497-13-7.
What is the molecular formula of 舒他西林?
The molecular formula of 舒他西林 is C25H30N4O9S2.
What is the molecular weight of 舒他西林?
The molecular weight of 舒他西林 is 594.15 g/mol.
Where can I buy 舒他西林?
You can request a quote for 舒他西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 舒他西林?
Yes, KEHONG BIO provides custom synthesis services for 舒他西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.