RefChem:274317
TL;DR: RefChem:274317 (CAS 77898-37-4) is a chemical compound with molecular formula C18H23Cl2N3O4 and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide
Also Known As: 3-[4-[Bis(2-chloroethyl)amino]phenyl]-2-cyano-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-2-propenamide, 3-(4-(Bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-2-propenamide, 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide, RefChem:274317
| Molecular Formula | C18H23Cl2N3O4 |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 0.70948 |
| Topological Polar Surface Area | 116.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 415.10657 |
| Heavy Atoms | 27 |
| Complexity | 655.9148 |
Chemical Identifiers
| CAS Number | 77898-37-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C(=O)NC(CO)(CO)CO)N(CCCl)CCCl |
Product Overview
RefChem:274317 (CAS 77898-37-4), with molecular formula C18H23Cl2N3O4 and molecular weight 415.11 g/mol. IUPAC: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide.
Chemical Property Profile of RefChem:274317
Property Insights of RefChem:274317
The XLogP value of 0.70948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:274317. The TPSA of 116.82 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:274317. Following Lipinski's Rule of Five, RefChem:274317 has 4 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 RefChem:274317?
The CAS number of RefChem:274317 is 77898-37-4.
What is the molecular formula of RefChem:274317?
The molecular formula of RefChem:274317 is C18H23Cl2N3O4.
What is the molecular weight of RefChem:274317?
The molecular weight of RefChem:274317 is 415.11 g/mol.
Where can I buy RefChem:274317?
You can request a quote for RefChem:274317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:274317?
Yes, KEHONG BIO provides custom synthesis services for RefChem:274317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.