1,3-Didodeca-5,11-diyn-1-ylurea
TL;DR: 1,3-Didodeca-5,11-diyn-1-ylurea (CAS 22247-81-0) is a chemical compound with molecular formula C25H36N2O and molecular weight 380.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(dodeca-5,11-diynyl)urea
Also Known As: 1,3-didodeca-5,11-diyn-1-ylurea, 1,3-bis(dodeca-5,11-diynyl)urea, KST-1B1817, N,N'-Di(dodeca-5,11-diyn-1-yl)urea, Urea,N,N'-di-5,11-dodecadiyn-1-yl-
| Molecular Formula | C25H36N2O |
|---|---|
| Molecular Weight | 380.28 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 14 |
| Exact Mass | 380.28278 |
| Heavy Atoms | 28 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 22247-81-0 |
|---|---|
| SMILES | C#CCCCCC#CCCCCNC(=O)NCCCCC#CCCCCC#C |
| InChIKey | BRWZNQUQSCGDFY-UHFFFAOYSA-N |
Product Overview
1,3-Didodeca-5,11-diyn-1-ylurea (CAS 22247-81-0), with molecular formula C25H36N2O and molecular weight 380.28 g/mol. IUPAC: 1,3-bis(dodeca-5,11-diynyl)urea.
Chemical Property Profile of 1,3-Didodeca-5,11-diyn-1-ylurea
Property Insights of 1,3-Didodeca-5,11-diyn-1-ylurea
The XLogP value of 6.1 indicates that 1,3-Didodeca-5,11-diyn-1-ylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 1,3-Didodeca-5,11-diyn-1-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Didodeca-5,11-diyn-1-ylurea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Didodeca-5,11-diyn-1-ylurea?
The CAS number of 1,3-Didodeca-5,11-diyn-1-ylurea is 22247-81-0.
What is the molecular formula of 1,3-Didodeca-5,11-diyn-1-ylurea?
The molecular formula of 1,3-Didodeca-5,11-diyn-1-ylurea is C25H36N2O.
What is the molecular weight of 1,3-Didodeca-5,11-diyn-1-ylurea?
The molecular weight of 1,3-Didodeca-5,11-diyn-1-ylurea is 380.28 g/mol.
Where can I buy 1,3-Didodeca-5,11-diyn-1-ylurea?
You can request a quote for 1,3-Didodeca-5,11-diyn-1-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Didodeca-5,11-diyn-1-ylurea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Didodeca-5,11-diyn-1-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.