卡巴里路
TL;DR: 卡巴里路 (CAS 78110-38-0) is a chemical compound with molecular formula C13H17N5O8S2 and molecular weight 435.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
卡巴里路
2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxo-1-sulfoazetidin-3-yl)amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
Also Known As: aztreonam, Azactam, Azthreonam, Aztreonamum, Monobactam
| Molecular Formula | C13H17N5O8S2 |
|---|---|
| Molecular Weight | 435.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.05185 |
| Heavy Atoms | 28 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 78110-38-0 |
|---|---|
| SMILES | CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N |
| InChIKey | WZPBZJONDBGPKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
卡巴里路 (CAS 78110-38-0), with molecular formula C13H17N5O8S2 and molecular weight 435.05 g/mol. IUPAC: 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxo-1-sulfoazetidin-3-yl)amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid.
Chemical Property Profile of 卡巴里路
Property Insights of 卡巴里路
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 卡巴里路. The TPSA of 238.0 Ų indicates high polarity, suggesting 卡巴里路 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 卡巴里路 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 卡巴里路?
The CAS number of 卡巴里路 is 78110-38-0.
What is the molecular formula of 卡巴里路?
The molecular formula of 卡巴里路 is C13H17N5O8S2.
What is the molecular weight of 卡巴里路?
The molecular weight of 卡巴里路 is 435.05 g/mol.
Where can I buy 卡巴里路?
You can request a quote for 卡巴里路 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 卡巴里路?
Yes, KEHONG BIO provides custom synthesis services for 卡巴里路 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.