EX-A10130A
TL;DR: EX-A10130A (CAS 95736-60-0) is a chemical compound with molecular formula C41H41N2O4+ and molecular weight 625.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2E)-2-[(2E,4E,6E)-7-[3-(2-carboxyethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]propanoic acid
Also Known As: EX-A10130A, 1H-Benz[e]indolium, 3-(2-carboxyethyl)-2-[7-[3-(2-carboxyethyl)-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-1,1-dimethyl-
| Molecular Formula | C41H41N2O4+ |
|---|---|
| Molecular Weight | 625.31 g/mol |
| LogP | 8.6689 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 625.30664 |
| Heavy Atoms | 47 |
| Complexity | 2058.6802 |
Chemical Identifiers
| CAS Number | 95736-60-0 |
|---|---|
| SMILES | CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCC(=O)O)/C=C/C=C/C=C/C=C/4\C(C5=C(N4CCC(=O)O)C=CC6=CC=CC=C65)(C)C)C |
Product Overview
EX-A10130A (CAS 95736-60-0), with molecular formula C41H41N2O4+ and molecular weight 625.31 g/mol. IUPAC: 3-[(2E)-2-[(2E,4E,6E)-7-[3-(2-carboxyethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]propanoic acid.
Chemical Property Profile of EX-A10130A
Property Insights of EX-A10130A
The XLogP value of 8.6689 indicates that EX-A10130A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.85 Ų falls within the moderate polarity range, balancing permeability and solubility for EX-A10130A. Following Lipinski's Rule of Five, EX-A10130A has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EX-A10130A?
The CAS number of EX-A10130A is 95736-60-0.
What is the molecular formula of EX-A10130A?
The molecular formula of EX-A10130A is C41H41N2O4+.
What is the molecular weight of EX-A10130A?
The molecular weight of EX-A10130A is 625.31 g/mol.
Where can I buy EX-A10130A?
You can request a quote for EX-A10130A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EX-A10130A?
Yes, KEHONG BIO provides custom synthesis services for EX-A10130A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.