RefChem:1051404
TL;DR: RefChem:1051404 (CAS 139886-59-2) is a chemical compound with molecular formula C9H15ClN2O3 and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl]acetic acid;hydrochloride
Also Known As: (E)-3,6-Dihydro-5-((methoxyimino)methyl)-1(2H)-pyridineacetic acid monohydrochloride, 1(2H)-Pyridineacetic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, monohydrochloride, (E)-, 1-Carboxymethyl-1,2,5,6-tetrahydropyridine-3-carboxaldehyde-O-methyloxime hydrochloride, RefChem:1051404
| Molecular Formula | C9H15ClN2O3 |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 0.7571 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.07712 |
| Heavy Atoms | 15 |
| Complexity | 266.08307 |
Chemical Identifiers
| CAS Number | 139886-59-2 |
|---|---|
| SMILES | CO/N=C/C1=CCCN(C1)CC(=O)O.Cl |
Product Overview
RefChem:1051404 (CAS 139886-59-2), with molecular formula C9H15ClN2O3 and molecular weight 234.08 g/mol. IUPAC: 2-[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl]acetic acid;hydrochloride.
Chemical Property Profile of RefChem:1051404
Property Insights of RefChem:1051404
The XLogP value of 0.7571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1051404. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1051404. Following Lipinski's Rule of Five, RefChem:1051404 has 1 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 RefChem:1051404?
The CAS number of RefChem:1051404 is 139886-59-2.
What is the molecular formula of RefChem:1051404?
The molecular formula of RefChem:1051404 is C9H15ClN2O3.
What is the molecular weight of RefChem:1051404?
The molecular weight of RefChem:1051404 is 234.08 g/mol.
Where can I buy RefChem:1051404?
You can request a quote for RefChem:1051404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1051404?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1051404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.