5-24-05-00291 (Beilstein Handbook Reference)
TL;DR: 5-24-05-00291 (Beilstein Handbook Reference) (CAS 69000-91-5) is a chemical compound with molecular formula C13H22ClN5O4 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[3-(2,3-dioxo-4-propylpiperazin-1-yl)propyl]-1-nitrosourea
Also Known As: 5-24-05-00291 (Beilstein Handbook Reference), Urea, N-(2-chloroethyl)-N'-(3-(2,3-dioxo-4-propyl-1-piperazinyl)propyl)-N-nitroso-, N-(2-Chloroethyl)-N'-(3-(2,3-dioxo-4-propyl-1-piperazinyl)propyl)-N-nitrosourea, 1-(2-chloroethyl)-3-[3-(2,3-dioxo-4-propylpiperazin-1-yl)propyl]-1-nitrosourea, N-(2-Chloroethyl)-N'-[3-(2,3-dioxo-4-propylpiperazin-1-yl)propyl]-N-nitrosourea
| Molecular Formula | C13H22ClN5O4 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 0.3891 |
| Topological Polar Surface Area | 102.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 347.13602 |
| Heavy Atoms | 23 |
| Complexity | 448.0808 |
Chemical Identifiers
| CAS Number | 69000-91-5 |
|---|---|
| SMILES | CCCN1CCN(C(=O)C1=O)CCCNC(=O)N(CCCl)N=O |
Product Overview
5-24-05-00291 (Beilstein Handbook Reference) (CAS 69000-91-5), with molecular formula C13H22ClN5O4 and molecular weight 347.14 g/mol. IUPAC: 1-(2-chloroethyl)-3-[3-(2,3-dioxo-4-propylpiperazin-1-yl)propyl]-1-nitrosourea.
Chemical Property Profile of 5-24-05-00291 (Beilstein Handbook Reference)
Property Insights of 5-24-05-00291 (Beilstein Handbook Reference)
The XLogP value of 0.3891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-24-05-00291 (Beilstein Handbook Reference). The TPSA of 102.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-24-05-00291 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-24-05-00291 (Beilstein Handbook Reference) has 1 hydrogen bond donor(s) and 5 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 5-24-05-00291 (Beilstein Handbook Reference)?
The CAS number of 5-24-05-00291 (Beilstein Handbook Reference) is 69000-91-5.
What is the molecular formula of 5-24-05-00291 (Beilstein Handbook Reference)?
The molecular formula of 5-24-05-00291 (Beilstein Handbook Reference) is C13H22ClN5O4.
What is the molecular weight of 5-24-05-00291 (Beilstein Handbook Reference)?
The molecular weight of 5-24-05-00291 (Beilstein Handbook Reference) is 347.14 g/mol.
Where can I buy 5-24-05-00291 (Beilstein Handbook Reference)?
You can request a quote for 5-24-05-00291 (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 5-24-05-00291 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-24-05-00291 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.