N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide
TL;DR: N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide (CAS 19748-53-9) 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,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide
Also Known As: N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide, n,n-bis(2-chloroethyl)-2-oxo-2h-chromene-6-carboxamide, 2H-1-Benzopyran-6-carboxamide,N,N-bis(2-chloroethyl)-2-oxo-, N,N-Bis(2-chloroethyl)-2-oxo-2H-1-benzopyran-6-carboxamide
| Molecular Formula | C14H13Cl2NO3 |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.02725 |
| Heavy Atoms | 20 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 19748-53-9 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=O)O2)C=C1C(=O)N(CCCl)CCCl |
| InChIKey | GXYHERWXGXBFTH-UHFFFAOYSA-N |
Product Overview
N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide (CAS 19748-53-9), with molecular formula C14H13Cl2NO3 and molecular weight 313.03 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide.
Chemical Property Profile of N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide
Property Insights of N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide. With a topological polar surface area (TPSA) of 46.6 Ų, N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide has 0 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,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide?
The CAS number of N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide is 19748-53-9.
What is the molecular formula of N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide?
The molecular formula of N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide is C14H13Cl2NO3.
What is the molecular weight of N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide?
The molecular weight of N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide is 313.03 g/mol.
Where can I buy N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide?
You can request a quote for N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-chloroethyl)-2-oxochromene-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.