Mdl 19592
TL;DR: Mdl 19592 (CAS 6338-63-2) is a chemical compound with molecular formula C17H17N3O6S and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[2-amino-2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Mdl 19592, Mdl-19,592, Rmi 19592, KST-1A6910, KST-1A6911
| Molecular Formula | C17H17N3O6S |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.0838 |
| Heavy Atoms | 27 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 6338-63-2 |
|---|---|
| SMILES | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC4=C(C=C3)OCO4)N)SC1)C(=O)O |
| InChIKey | APIJQNGYGVYKQR-ZLXOECBPSA-N |
Product Overview
Mdl 19592 (CAS 6338-63-2), with molecular formula C17H17N3O6S and molecular weight 391.08 g/mol. IUPAC: (6R,7R)-7-[[2-amino-2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Mdl 19592
Property Insights of Mdl 19592
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mdl 19592. The TPSA of 156.0 Ų indicates high polarity, suggesting Mdl 19592 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mdl 19592 has 3 hydrogen bond donor(s) and 8 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 Mdl 19592?
The CAS number of Mdl 19592 is 6338-63-2.
What is the molecular formula of Mdl 19592?
The molecular formula of Mdl 19592 is C17H17N3O6S.
What is the molecular weight of Mdl 19592?
The molecular weight of Mdl 19592 is 391.08 g/mol.
Where can I buy Mdl 19592?
You can request a quote for Mdl 19592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 19592?
Yes, KEHONG BIO provides custom synthesis services for Mdl 19592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.