RefChem:1067099
TL;DR: RefChem:1067099 (CAS 64059-22-9) is a chemical compound with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[5-(methylcarbamoyloxy)-2-propan-2-ylphenyl]azanium chloride
Also Known As: CARBAMIC ACID, METHYL-, 3-(DIMETHYLAMINO)-p-CUMENYL ESTER, HYDROCHLORIDE, dimethyl-[5-(methylcarbamoyloxy)-2-propan-2-ylphenyl]azanium chloride, Carbamic acid, N-methyl-, 3-dimethylamino-4-isopropylphenyl ester, hydrochloride, Phenol, 3-(dimethylamino)-4-(1-methylethyl)-, methylcarbamate (ester), monohydrochloride, 3-(Dimethylamino)-4-(propan-2-yl)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1)
| Molecular Formula | C13H21ClN2O2 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | -1.69 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.12915 |
| Heavy Atoms | 18 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 64059-22-9 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)OC(=O)NC)[NH+](C)C.[Cl-] |
| InChIKey | IDKRSPACENAVIN-UHFFFAOYSA-N |
Product Overview
RefChem:1067099 (CAS 64059-22-9), with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol. IUPAC: dimethyl-[5-(methylcarbamoyloxy)-2-propan-2-ylphenyl]azanium chloride.
Chemical Property Profile of RefChem:1067099
Property Insights of RefChem:1067099
The XLogP value of -1.69 indicates that RefChem:1067099 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1067099 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1067099 has 2 hydrogen bond donor(s) and 3 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:1067099?
The CAS number of RefChem:1067099 is 64059-22-9.
What is the molecular formula of RefChem:1067099?
The molecular formula of RefChem:1067099 is C13H21ClN2O2.
What is the molecular weight of RefChem:1067099?
The molecular weight of RefChem:1067099 is 272.13 g/mol.
Where can I buy RefChem:1067099?
You can request a quote for RefChem:1067099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067099?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.