NBD-5-acylcholine
TL;DR: NBD-5-acylcholine (CAS 90604-97-0) is a chemical compound with molecular formula C17H26N5O5+ and molecular weight 380.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]ethyl]azanium
Also Known As: Nbd-5-acylcholine, Ethanaminium, N,N,N-trimethyl-2-((6-((7-nitro-4-benzofurazanyl)amino)-1-oxohexyl)oxy)-, trimethyl-[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]ethyl]azanium, N-7-(4-Nitrobenzo-2-oxo-1,3-diazole)-omega-aminohexanoic acid beta-(N-trimethylammonium)ethyl ester, N,N,N-Trimethyl-2-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)ethan-1-aminium
| Molecular Formula | C17H26N5O5+ |
|---|---|
| Molecular Weight | 380.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 380.1934 |
| Heavy Atoms | 27 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 90604-97-0 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-] |
| InChIKey | BLWHUXXKWKVPAY-UHFFFAOYSA-N |
Product Overview
NBD-5-acylcholine (CAS 90604-97-0), with molecular formula C17H26N5O5+ and molecular weight 380.19 g/mol. IUPAC: trimethyl-[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]ethyl]azanium.
Chemical Property Profile of NBD-5-acylcholine
Property Insights of NBD-5-acylcholine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NBD-5-acylcholine. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NBD-5-acylcholine. Following Lipinski's Rule of Five, NBD-5-acylcholine has 1 hydrogen bond donor(s) and 8 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 NBD-5-acylcholine?
The CAS number of NBD-5-acylcholine is 90604-97-0.
What is the molecular formula of NBD-5-acylcholine?
The molecular formula of NBD-5-acylcholine is C17H26N5O5+.
What is the molecular weight of NBD-5-acylcholine?
The molecular weight of NBD-5-acylcholine is 380.19 g/mol.
Where can I buy NBD-5-acylcholine?
You can request a quote for NBD-5-acylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NBD-5-acylcholine?
Yes, KEHONG BIO provides custom synthesis services for NBD-5-acylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.