RefChem:1080898
TL;DR: RefChem:1080898 (CAS 67049-92-7) is a chemical compound with molecular formula C15H18ClN3O2 and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylcarbamoyloxy)phenyl]-methyl-pyridin-2-ylazanium chloride
Also Known As: Ro 2-2316, Carbamic acid, dimethyl-, p-(N-methyl-N-(2-pyridyl)amino)phenyl ester, hydrochloride, [4-(dimethylcarbamoyloxy)phenyl]-methyl-pyridin-2-ylazanium chloride, Dimethylcarbamic acid p-(N-methyl-N-(2-pyridyl)amino)phenyl ester hydrochloride, Carbamic acid, dimethyl-, 4-(methyl-2-pyridinylamino)phenyl ester, monohydrochloride
| Molecular Formula | C15H18ClN3O2 |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | -1.38 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.10876 |
| Heavy Atoms | 21 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 67049-92-7 |
|---|---|
| SMILES | C[NH+](C1=CC=C(C=C1)OC(=O)N(C)C)C2=CC=CC=N2.[Cl-] |
| InChIKey | RKEIDKCNJIPDNX-UHFFFAOYSA-N |
Product Overview
RefChem:1080898 (CAS 67049-92-7), with molecular formula C15H18ClN3O2 and molecular weight 307.11 g/mol. IUPAC: [4-(dimethylcarbamoyloxy)phenyl]-methyl-pyridin-2-ylazanium chloride.
Chemical Property Profile of RefChem:1080898
Property Insights of RefChem:1080898
The XLogP value of -1.38 indicates that RefChem:1080898 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.9 Ų, RefChem:1080898 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080898 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:1080898?
The CAS number of RefChem:1080898 is 67049-92-7.
What is the molecular formula of RefChem:1080898?
The molecular formula of RefChem:1080898 is C15H18ClN3O2.
What is the molecular weight of RefChem:1080898?
The molecular weight of RefChem:1080898 is 307.11 g/mol.
Where can I buy RefChem:1080898?
You can request a quote for RefChem:1080898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080898?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.