![n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide structure](/static/products/2545/25458-05-3.webp)
n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide
TL;DR: n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide (CAS 25458-05-3) is a chemical compound with molecular formula C14H18Cl2N2O2 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[bis(2-chloroethyl)amino]-1-oxopropan-2-yl]benzamide
Also Known As: N-[1-[bis carbamoyl]ethyl]benzamide, n-{1-[bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide, N-[1-[bis(2-chloroethyl)amino]-1-oxopropan-2-yl]benzamide, Benzamide,n-[2-[bis(2-chloroethyl)amino]-1-methyl-2-oxoethyl]-
| Molecular Formula | C14H18Cl2N2O2 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.07452 |
| Heavy Atoms | 20 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 25458-05-3 |
|---|---|
| SMILES | CC(C(=O)N(CCCl)CCCl)NC(=O)C1=CC=CC=C1 |
| InChIKey | SYSUOTWGWDZLMD-UHFFFAOYSA-N |
Product Overview
n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide (CAS 25458-05-3), with molecular formula C14H18Cl2N2O2 and molecular weight 316.07 g/mol. IUPAC: N-[1-[bis(2-chloroethyl)amino]-1-oxopropan-2-yl]benzamide.
Chemical Property Profile of n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide
Property Insights of n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide. With a topological polar surface area (TPSA) of 49.4 Ų, n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide has 1 hydrogen bond donor(s) and 2 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-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide?
The CAS number of n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide is 25458-05-3.
What is the molecular formula of n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide?
The molecular formula of n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide is C14H18Cl2N2O2.
What is the molecular weight of n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide?
The molecular weight of n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide is 316.07 g/mol.
Where can I buy n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide?
You can request a quote for n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for n-{1-[Bis(2-chloroethyl)amino]-1-oxopropan-2-yl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.