5-25-16-00466 (Beilstein Handbook Reference)
TL;DR: 5-25-16-00466 (Beilstein Handbook Reference) (CAS 61982-12-5) is a chemical compound with molecular formula C21H29Cl2N5O2 and molecular weight 453.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-2-ethyl-3-propylimidazole-4-carboxamide
Also Known As: 5-25-16-00466 (Beilstein Handbook Reference), 1H-Imidazole-5-carboxamide, 4-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)amino)-2-ethyl-1-propyl-, 4-(2-{4-[Bis(2-chloroethyl)amino]phenyl}acetamido)-2-ethyl-1-propyl-1H-imidazole-5-carboxamide, 5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-2-ethyl-3-propylimidazole-4-carboxamide, BRN 0723557
| Molecular Formula | C21H29Cl2N5O2 |
|---|---|
| Molecular Weight | 453.17 g/mol |
| LogP | 3.4196 |
| Topological Polar Surface Area | 93.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 453.16983 |
| Heavy Atoms | 30 |
| Complexity | 845.8268 |
Chemical Identifiers
| CAS Number | 61982-12-5 |
|---|---|
| SMILES | CCCN1C(=NC(=C1C(=O)N)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl)CC |
Product Overview
5-25-16-00466 (Beilstein Handbook Reference) (CAS 61982-12-5), with molecular formula C21H29Cl2N5O2 and molecular weight 453.17 g/mol. IUPAC: 5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-2-ethyl-3-propylimidazole-4-carboxamide.
Chemical Property Profile of 5-25-16-00466 (Beilstein Handbook Reference)
Property Insights of 5-25-16-00466 (Beilstein Handbook Reference)
The XLogP value of 3.4196 indicates that 5-25-16-00466 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-16-00466 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-16-00466 (Beilstein Handbook Reference) has 2 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 5-25-16-00466 (Beilstein Handbook Reference)?
The CAS number of 5-25-16-00466 (Beilstein Handbook Reference) is 61982-12-5.
What is the molecular formula of 5-25-16-00466 (Beilstein Handbook Reference)?
The molecular formula of 5-25-16-00466 (Beilstein Handbook Reference) is C21H29Cl2N5O2.
What is the molecular weight of 5-25-16-00466 (Beilstein Handbook Reference)?
The molecular weight of 5-25-16-00466 (Beilstein Handbook Reference) is 453.17 g/mol.
Where can I buy 5-25-16-00466 (Beilstein Handbook Reference)?
You can request a quote for 5-25-16-00466 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-16-00466 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-16-00466 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.