ChemDiv1_002435
TL;DR: ChemDiv1_002435 (CAS 49546-08-9) is a chemical compound with molecular formula C28H14N2O8 and molecular weight 506.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[13-(3-carboxyphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]benzoic acid
Also Known As: ChemDiv1_002435, BAS 00332573, J2.462.672E, 3,3'-(1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline-2,7(1H,3H,6H,8H)-diyl)dibenzoic acid, 3,3 -(1,3,6,8-Tetraoxo-1,2,3,6,7,8-hexahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)bisbenzoic acid
| Molecular Formula | C28H14N2O8 |
|---|---|
| Molecular Weight | 506.07 g/mol |
| LogP | 3.8374 |
| Topological Polar Surface Area | 149.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 506.075 |
| Heavy Atoms | 38 |
| Complexity | 1620.6201 |
Chemical Identifiers
| CAS Number | 49546-08-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6=CC=CC(=C6)C(=O)O)C2=O)C(=O)O |
Product Overview
ChemDiv1_002435 (CAS 49546-08-9), with molecular formula C28H14N2O8 and molecular weight 506.07 g/mol. IUPAC: 3-[13-(3-carboxyphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]benzoic acid.
Chemical Property Profile of ChemDiv1_002435
Property Insights of ChemDiv1_002435
The XLogP value of 3.8374 indicates that ChemDiv1_002435 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.36 Ų indicates high polarity, suggesting ChemDiv1_002435 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_002435 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002435?
The CAS number of ChemDiv1_002435 is 49546-08-9.
What is the molecular formula of ChemDiv1_002435?
The molecular formula of ChemDiv1_002435 is C28H14N2O8.
What is the molecular weight of ChemDiv1_002435?
The molecular weight of ChemDiv1_002435 is 506.07 g/mol.
Where can I buy ChemDiv1_002435?
You can request a quote for ChemDiv1_002435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002435?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.