N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide
TL;DR: N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide (CAS 701940-72-9) is a chemical compound with molecular formula C14H13Cl2NO3 and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide
Also Known As: VU0610322-1, N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide, (6,8-dichloro-2-oxochromen-3-yl)-N-(tert-butyl)carboxamide, N-(tert-butyl)-6,8-dichloro-2-oxo-2H-chromene-3-carboxamide, N-tert-butyl-6,8-dichloro-2-oxo-2H-chromene-3-carboxamide
| Molecular Formula | C14H13Cl2NO3 |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 3.6281 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.02725 |
| Heavy Atoms | 20 |
| Complexity | 744.393 |
Chemical Identifiers
| CAS Number | 701940-72-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC2=CC(=CC(=C2OC1=O)Cl)Cl |
Product Overview
N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide (CAS 701940-72-9), with molecular formula C14H13Cl2NO3 and molecular weight 313.03 g/mol. IUPAC: N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide
Property Insights of N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide
The XLogP value of 3.6281 indicates that N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.31 Ų, N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide has 1 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 N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide?
The CAS number of N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide is 701940-72-9.
What is the molecular formula of N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide?
The molecular formula of N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide is C14H13Cl2NO3.
What is the molecular weight of N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide?
The molecular weight of N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide is 313.03 g/mol.
Where can I buy N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide?
You can request a quote for N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-6,8-dichloro-2-oxochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.