AB00598074-04
TL;DR: AB00598074-04 (CAS 1214040-19-3) is a chemical compound with molecular formula C17H19ClN4O6S and molecular weight 442.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(acetyloxymethyl)-7-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: AB00598074-04, 3-[(acetyloxy)methyl]-7-{[3-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetoxymethyl)-7-(3-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetyloxymethyl)-7-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(ACETYLOXY)METHYL]-7-[3-(4-CHLORO-1H-PYRAZOL-1-YL)-2-METHYLPROPANAMIDO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
| Molecular Formula | C17H19ClN4O6S |
|---|---|
| Molecular Weight | 442.07 g/mol |
| LogP | 0.4743 |
| Topological Polar Surface Area | 130.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.07138 |
| Heavy Atoms | 29 |
| Complexity | 900.23926 |
Chemical Identifiers
| CAS Number | 1214040-19-3 |
|---|---|
| SMILES | CC(CN1C=C(C=N1)Cl)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O |
Product Overview
AB00598074-04 (CAS 1214040-19-3), with molecular formula C17H19ClN4O6S and molecular weight 442.07 g/mol. IUPAC: 3-(acetyloxymethyl)-7-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of AB00598074-04
Property Insights of AB00598074-04
The XLogP value of 0.4743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00598074-04. The TPSA of 130.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00598074-04. Following Lipinski's Rule of Five, AB00598074-04 has 2 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 AB00598074-04?
The CAS number of AB00598074-04 is 1214040-19-3.
What is the molecular formula of AB00598074-04?
The molecular formula of AB00598074-04 is C17H19ClN4O6S.
What is the molecular weight of AB00598074-04?
The molecular weight of AB00598074-04 is 442.07 g/mol.
Where can I buy AB00598074-04?
You can request a quote for AB00598074-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00598074-04?
Yes, KEHONG BIO provides custom synthesis services for AB00598074-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.