5-25-16-00353 (Beilstein Handbook Reference)
TL;DR: 5-25-16-00353 (Beilstein Handbook Reference) (CAS 61982-11-4) is a chemical compound with molecular formula C18H23Cl2N5O2 and molecular weight 411.12 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]-2,3-dimethylimidazole-4-carboxamide
Also Known As: 5-25-16-00353 (Beilstein Handbook Reference), 1H-Imidazole-5-carboxamide, 4-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)amino)-1,2-dimethyl-, 4-(2-{4-[Bis(2-chloroethyl)amino]phenyl}acetamido)-1,2-dimethyl-1H-imidazole-5-carboxamide, 5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-2,3-dimethylimidazole-4-carboxamide, BRN 0856336
| Molecular Formula | C18H23Cl2N5O2 |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 2.29262 |
| Topological Polar Surface Area | 93.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.1229 |
| Heavy Atoms | 27 |
| Complexity | 798.8285 |
Chemical Identifiers
| CAS Number | 61982-11-4 |
|---|---|
| SMILES | CC1=NC(=C(N1C)C(=O)N)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl |
Product Overview
5-25-16-00353 (Beilstein Handbook Reference) (CAS 61982-11-4), with molecular formula C18H23Cl2N5O2 and molecular weight 411.12 g/mol. IUPAC: 5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-2,3-dimethylimidazole-4-carboxamide.
Chemical Property Profile of 5-25-16-00353 (Beilstein Handbook Reference)
Property Insights of 5-25-16-00353 (Beilstein Handbook Reference)
The XLogP value of 2.29262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-25-16-00353 (Beilstein Handbook Reference). The TPSA of 93.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-16-00353 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-16-00353 (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 5-25-16-00353 (Beilstein Handbook Reference)?
The CAS number of 5-25-16-00353 (Beilstein Handbook Reference) is 61982-11-4.
What is the molecular formula of 5-25-16-00353 (Beilstein Handbook Reference)?
The molecular formula of 5-25-16-00353 (Beilstein Handbook Reference) is C18H23Cl2N5O2.
What is the molecular weight of 5-25-16-00353 (Beilstein Handbook Reference)?
The molecular weight of 5-25-16-00353 (Beilstein Handbook Reference) is 411.12 g/mol.
Where can I buy 5-25-16-00353 (Beilstein Handbook Reference)?
You can request a quote for 5-25-16-00353 (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 5-25-16-00353 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-16-00353 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.