EINECS 306-455-4
TL;DR: EINECS 306-455-4 (CAS 97259-91-1) is a chemical compound with molecular formula C16H13CaN3O7S and molecular weight 431.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-[[4-(oxidomethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoate
Also Known As: EINECS 306-455-4, Calcium 2-(((4-(((((oxidomethyl)amino)carbonyl)amino)sulphonyl)phenyl)amino)carbonyl)benzoate, Calcium 2-[(4-{[(oxidomethyl)carbamoyl]sulfamoyl}phenyl)carbamoyl]benzoate, CALCIUM 2-[[[4-[[[[(OXIDOMETHYL)AMINO]CARBONYL]AMINO]SULFONYL]PHENYL]AMINO]CARBONYL]BENZOATE, CALCIUM 2-[[[4-[[[[(OXIDOMETHYL)AMINO]CARBONYL]AMINO]SULPHONYL]PHENYL]AMINO]CARBONYL]BENZOATE
| Molecular Formula | C16H13CaN3O7S |
|---|---|
| Molecular Weight | 431.01 g/mol |
| LogP | -1.7727 |
| Topological Polar Surface Area | 167.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.01 |
| Heavy Atoms | 28 |
| Complexity | 977.9873 |
Chemical Identifiers
| CAS Number | 97259-91-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC[O-])C(=O)[O-].[Ca+2] |
Product Overview
EINECS 306-455-4 (CAS 97259-91-1), with molecular formula C16H13CaN3O7S and molecular weight 431.01 g/mol. IUPAC: calcium 2-[[4-(oxidomethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoate.
Chemical Property Profile of EINECS 306-455-4
Property Insights of EINECS 306-455-4
The XLogP value of -1.7727 indicates that EINECS 306-455-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.56 Ų indicates high polarity, suggesting EINECS 306-455-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 306-455-4 has 3 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 EINECS 306-455-4?
The CAS number of EINECS 306-455-4 is 97259-91-1.
What is the molecular formula of EINECS 306-455-4?
The molecular formula of EINECS 306-455-4 is C16H13CaN3O7S.
What is the molecular weight of EINECS 306-455-4?
The molecular weight of EINECS 306-455-4 is 431.01 g/mol.
Where can I buy EINECS 306-455-4?
You can request a quote for EINECS 306-455-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 306-455-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 306-455-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.