EX-A9905
TL;DR: EX-A9905 (CAS 220048-65-7) is a chemical compound with molecular formula C46H50ClN3OS2 and molecular weight 759.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[(1E,3E,5E,7Z)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one chloride
Also Known As: EX-A9905
| Molecular Formula | C46H50ClN3OS2 |
|---|---|
| Molecular Weight | 759.31 g/mol |
| LogP | 8.1641 |
| Topological Polar Surface Area | 26.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 759.3084 |
| Heavy Atoms | 53 |
| Complexity | 2209.1003 |
Chemical Identifiers
| CAS Number | 220048-65-7 |
|---|---|
| SMILES | CCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C/C=C/C=C/C=C/C4=[N+](C5=C(C4(C)C)C6=CC=CC=C6C=C5)CCCCCC(=O)N7CCSC7=S)(C)C.[Cl-] |
Product Overview
EX-A9905 (CAS 220048-65-7), with molecular formula C46H50ClN3OS2 and molecular weight 759.31 g/mol. IUPAC: 6-[2-[(1E,3E,5E,7Z)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one chloride.
Chemical Property Profile of EX-A9905
Property Insights of EX-A9905
The XLogP value of 8.1641 indicates that EX-A9905 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.56 Ų, EX-A9905 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EX-A9905 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EX-A9905?
The CAS number of EX-A9905 is 220048-65-7.
What is the molecular formula of EX-A9905?
The molecular formula of EX-A9905 is C46H50ClN3OS2.
What is the molecular weight of EX-A9905?
The molecular weight of EX-A9905 is 759.31 g/mol.
Where can I buy EX-A9905?
You can request a quote for EX-A9905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EX-A9905?
Yes, KEHONG BIO provides custom synthesis services for EX-A9905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.