6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate
TL;DR: 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate (CAS 575470-29-0) is a chemical compound with molecular formula C19H22ClNO6 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate, 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate, (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula | C19H22ClNO6 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 3.88344 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.11356 |
| Heavy Atoms | 27 |
| Complexity | 941.8361 |
Chemical Identifiers
| CAS Number | 575470-29-0 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNC(=O)OC(C)(C)C)C |
Product Overview
6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate (CAS 575470-29-0), with molecular formula C19H22ClNO6 and molecular weight 395.11 g/mol. IUPAC: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate
Property Insights of 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate
The XLogP value of 3.88344 indicates that 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate. Following Lipinski's Rule of Five, 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate has 1 hydrogen bond donor(s) and 6 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 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate?
The CAS number of 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate is 575470-29-0.
What is the molecular formula of 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate?
The molecular formula of 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate is C19H22ClNO6.
What is the molecular weight of 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate?
The molecular weight of 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate is 395.11 g/mol.
Where can I buy 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate?
You can request a quote for 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.