NCIStruc1_001770
TL;DR: NCIStruc1_001770 (CAS 5118-88-7) is a chemical compound with molecular formula C10H10ClN3O6S2 and molecular weight 366.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(8-chloro-2-hydroxy-2-oxo-9-sulfamoyl-2λ6-thia-3,5-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaen-4-yl)propanoic acid
Also Known As: NCIStruc1_001770, NCIStruc2_001395, 3-(9-chloro-5-hydroxy-5-oxo-8-sulfamoyl-5, 3-(7-(aminosulfonyl)-6-chloro-1-hydroxy-1-oxido-14,2,4-benzothiadiazin-3-yl)propanoic acid
| Molecular Formula | C10H10ClN3O6S2 |
|---|---|
| Molecular Weight | 366.97 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.96994 |
| Heavy Atoms | 22 |
| Complexity | 897.0 |
Chemical Identifiers
| CAS Number | 5118-88-7 |
|---|---|
| SMILES | C1=C(C(=CC2=NC(=NS(=C21)(=O)O)CCC(=O)O)Cl)S(=O)(=O)N |
| InChIKey | MMZVLUQFLGIDQC-UHFFFAOYSA-N |
Product Overview
NCIStruc1_001770 (CAS 5118-88-7), with molecular formula C10H10ClN3O6S2 and molecular weight 366.97 g/mol. IUPAC: 3-(8-chloro-2-hydroxy-2-oxo-9-sulfamoyl-2λ6-thia-3,5-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaen-4-yl)propanoic acid.
Chemical Property Profile of NCIStruc1_001770
Property Insights of NCIStruc1_001770
The XLogP value of -2.5 indicates that NCIStruc1_001770 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting NCIStruc1_001770 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCIStruc1_001770 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 NCIStruc1_001770?
The CAS number of NCIStruc1_001770 is 5118-88-7.
What is the molecular formula of NCIStruc1_001770?
The molecular formula of NCIStruc1_001770 is C10H10ClN3O6S2.
What is the molecular weight of NCIStruc1_001770?
The molecular weight of NCIStruc1_001770 is 366.97 g/mol.
Where can I buy NCIStruc1_001770?
You can request a quote for NCIStruc1_001770 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_001770?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_001770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.