COMPOUND30
TL;DR: COMPOUND30 (CAS 15682-12-9) is a chemical compound with molecular formula C11H19Cl2N3O and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-[3-(dimethylamino)propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine;chloride;hydrochloride
Also Known As: N-[[1-[3-(dimethylamino)propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine;chloride;hydrochloride
| Molecular Formula | C11H19Cl2N3O |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | -1.8403 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.0905 |
| Heavy Atoms | 17 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 15682-12-9 |
|---|---|
| SMILES | CN(C)CCC[N+]1=CC=C(C=C1)C=NO.Cl.[Cl-] |
| InChIKey | IACGFZVVGMZSEH-UHFFFAOYSA-N |
Product Overview
COMPOUND30 (CAS 15682-12-9), with molecular formula C11H19Cl2N3O and molecular weight 279.09 g/mol. IUPAC: N-[[1-[3-(dimethylamino)propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine;chloride;hydrochloride.
Chemical Property Profile of COMPOUND30
Property Insights of COMPOUND30
The XLogP value of -1.8403 indicates that COMPOUND30 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.7 Ų, COMPOUND30 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, COMPOUND30 has 2 hydrogen bond donor(s) and 4 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 COMPOUND30?
The CAS number of COMPOUND30 is 15682-12-9.
What is the molecular formula of COMPOUND30?
The molecular formula of COMPOUND30 is C11H19Cl2N3O.
What is the molecular weight of COMPOUND30?
The molecular weight of COMPOUND30 is 279.09 g/mol.
Where can I buy COMPOUND30?
You can request a quote for COMPOUND30 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for COMPOUND30?
Yes, KEHONG BIO provides custom synthesis services for COMPOUND30 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.