BAS 00512003
TL;DR: BAS 00512003 (CAS 71685-31-9) is a chemical compound with molecular formula C29H28N2O9 and molecular weight 548.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[5-[2-(5-carboxypentyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]hexanoic acid
Also Known As: BAS 00512003, J2.439.626F, 4,4 -Carbonylbis[N-(5-carboxypentyl)phthalimide], 6,6'-(5,5'-carbonylbis(1,3-dioxoisoindoline-5,2-diyl))dihexanoic acid, 6-{5-[2-(5-CARBOXYPENTYL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBONYL]-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL}HEXANOIC ACID
| Molecular Formula | C29H28N2O9 |
|---|---|
| Molecular Weight | 548.18 g/mol |
| LogP | 3.3996 |
| Topological Polar Surface Area | 166.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 548.1795 |
| Heavy Atoms | 40 |
| Complexity | 1323.0781 |
Chemical Identifiers
| CAS Number | 71685-31-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCCCCC(=O)O)C(=O)N(C2=O)CCCCCC(=O)O |
Product Overview
BAS 00512003 (CAS 71685-31-9), with molecular formula C29H28N2O9 and molecular weight 548.18 g/mol. IUPAC: 6-[5-[2-(5-carboxypentyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]hexanoic acid.
Chemical Property Profile of BAS 00512003
Property Insights of BAS 00512003
The XLogP value of 3.3996 indicates that BAS 00512003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.43 Ų indicates high polarity, suggesting BAS 00512003 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00512003 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00512003?
The CAS number of BAS 00512003 is 71685-31-9.
What is the molecular formula of BAS 00512003?
The molecular formula of BAS 00512003 is C29H28N2O9.
What is the molecular weight of BAS 00512003?
The molecular weight of BAS 00512003 is 548.18 g/mol.
Where can I buy BAS 00512003?
You can request a quote for BAS 00512003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00512003?
Yes, KEHONG BIO provides custom synthesis services for BAS 00512003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.