![N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide structure](/static/products/6277/6277-27-6.webp)
N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide
TL;DR: N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide (CAS 6277-27-6) is a chemical compound with molecular formula C16H16Cl2N2O3 and molecular weight 354.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide
Also Known As: N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide, (1E,4E)-1,5-BIS[4-(DIETHYLAMINO)PHENYL]PENTA-1,4-DIEN-3-ONE, n-{3-[bis(2-chloroethyl)amino]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}acetamide, N-{3-[Bis(2-chloroethyl)amino]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}ethanimidic acid
| Molecular Formula | C16H16Cl2N2O3 |
|---|---|
| Molecular Weight | 354.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.0538 |
| Heavy Atoms | 23 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 6277-27-6 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)N(CCCl)CCCl |
| InChIKey | VDMCTDSUHVMAQV-UHFFFAOYSA-N |
Product Overview
N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide (CAS 6277-27-6), with molecular formula C16H16Cl2N2O3 and molecular weight 354.05 g/mol. IUPAC: N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide.
Chemical Property Profile of N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide
Property Insights of N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide. Following Lipinski's Rule of Five, N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide 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 N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide?
The CAS number of N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide is 6277-27-6.
What is the molecular formula of N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide?
The molecular formula of N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide is C16H16Cl2N2O3.
What is the molecular weight of N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide?
The molecular weight of N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide is 354.05 g/mol.
Where can I buy N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide?
You can request a quote for N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-[bis(2-chloroethyl)amino]-1,4-dioxonaphthalen-2-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.