benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt
TL;DR: benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt (CAS 63041-33-8) is a chemical compound with molecular formula C22H10Na2O4 and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;benzo[a]pyrene-7,8-dicarboxylate
Also Known As: Sodium 3:4-benzpyrene-3':4'-dicarboxylate, Sodium benzo(a)pyrene-7,8-dicarboxylic acid, disodium benzo[a]pyrene-7,8-dicarboxylate, BENZO(a)PYRENE-7,8-DICARBOXYLIC ACID, SODIUM SALT, Disodium benzo[pqr]tetraphene-7,8-dicarboxylate
| Molecular Formula | C22H10Na2O4 |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | -3.53 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 384.03745 |
| Heavy Atoms | 28 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 63041-33-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=C5C(=O)[O-])C(=O)[O-])C=C2.[Na+].[Na+] |
| InChIKey | YSXWLJGNGBZMHU-UHFFFAOYSA-L |
Product Overview
benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt (CAS 63041-33-8), with molecular formula C22H10Na2O4 and molecular weight 384.04 g/mol. IUPAC: disodium;benzo[a]pyrene-7,8-dicarboxylate.
Chemical Property Profile of benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt
Property Insights of benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt
The XLogP value of -3.53 indicates that benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt. Following Lipinski's Rule of Five, benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt has 0 hydrogen bond donor(s) and 4 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 benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt?
The CAS number of benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt is 63041-33-8.
What is the molecular formula of benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt?
The molecular formula of benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt is C22H10Na2O4.
What is the molecular weight of benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt?
The molecular weight of benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt is 384.04 g/mol.
Where can I buy benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt?
You can request a quote for benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.