N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide
TL;DR: N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide (CAS 5451-46-7) is a chemical compound with molecular formula C14H22BrN7O4 and molecular weight 431.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide;bromide;trihydrate
Also Known As: Sid 768633, KST-1B5323, N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide, 1-[3-(6-amino-9h-purin-9-yl)propyl]-3-carbamoylpyridinium bromide hydrate(1:1:3), Pyridinium, 3-(aminocarbonyl)-1-(3-(6-amino-9H-purin-9-yl)propyl)-, bromide, trihydrate
| Molecular Formula | C14H22BrN7O4 |
|---|---|
| Molecular Weight | 431.09 g/mol |
| LogP | -5.5849 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.09167 |
| Heavy Atoms | 26 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 5451-46-7 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)CCCN2C=NC3=C(N=CN=C32)N)C(=O)N.O.O.O.[Br-] |
| InChIKey | UWYYJYZZJBJPFO-UHFFFAOYSA-N |
Product Overview
N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide (CAS 5451-46-7), with molecular formula C14H22BrN7O4 and molecular weight 431.09 g/mol. IUPAC: 1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide;bromide;trihydrate.
Chemical Property Profile of N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide
Property Insights of N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide
The XLogP value of -5.5849 indicates that N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide. Following Lipinski's Rule of Five, N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide has 5 hydrogen bond donor(s) and 9 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 N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide?
The CAS number of N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide is 5451-46-7.
What is the molecular formula of N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide?
The molecular formula of N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide is C14H22BrN7O4.
What is the molecular weight of N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide?
The molecular weight of N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide is 431.09 g/mol.
Where can I buy N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide?
You can request a quote for N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.