5-25-16-00337 (Beilstein Handbook Reference)
TL;DR: 5-25-16-00337 (Beilstein Handbook Reference) (CAS 61982-05-6) is a chemical compound with molecular formula C17H22Cl2N4O4S and molecular weight 448.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-methylimidazole-4-carboxylate
Also Known As: 5-25-16-00337 (Beilstein Handbook Reference), 1H-Imidazole-5-carboxylic acid, 4-(((4-(bis(2-chloroethyl)amino)phenyl)sulfonyl)amino)-1-methyl-, ethyl ester, ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-methylimidazole-4-carboxylate, Ethyl 4-{4-[bis(2-chloroethyl)amino]benzene-1-sulfonamido}-1-methyl-1H-imidazole-5-carboxylate, BRN 0858674
| Molecular Formula | C17H22Cl2N4O4S |
|---|---|
| Molecular Weight | 448.07 g/mol |
| LogP | 2.6816 |
| Topological Polar Surface Area | 93.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 448.07388 |
| Heavy Atoms | 28 |
| Complexity | 894.3812 |
Chemical Identifiers
| CAS Number | 61982-05-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=CN1C)NS(=O)(=O)C2=CC=C(C=C2)N(CCCl)CCCl |
Product Overview
5-25-16-00337 (Beilstein Handbook Reference) (CAS 61982-05-6), with molecular formula C17H22Cl2N4O4S and molecular weight 448.07 g/mol. IUPAC: ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-methylimidazole-4-carboxylate.
Chemical Property Profile of 5-25-16-00337 (Beilstein Handbook Reference)
Property Insights of 5-25-16-00337 (Beilstein Handbook Reference)
The XLogP value of 2.6816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-25-16-00337 (Beilstein Handbook Reference). The TPSA of 93.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-16-00337 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-16-00337 (Beilstein Handbook Reference) has 1 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 5-25-16-00337 (Beilstein Handbook Reference)?
The CAS number of 5-25-16-00337 (Beilstein Handbook Reference) is 61982-05-6.
What is the molecular formula of 5-25-16-00337 (Beilstein Handbook Reference)?
The molecular formula of 5-25-16-00337 (Beilstein Handbook Reference) is C17H22Cl2N4O4S.
What is the molecular weight of 5-25-16-00337 (Beilstein Handbook Reference)?
The molecular weight of 5-25-16-00337 (Beilstein Handbook Reference) is 448.07 g/mol.
Where can I buy 5-25-16-00337 (Beilstein Handbook Reference)?
You can request a quote for 5-25-16-00337 (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 5-25-16-00337 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-16-00337 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.