1-Nitroso-1,3-bis(prop-2-ynyl)urea
TL;DR: 1-Nitroso-1,3-bis(prop-2-ynyl)urea (CAS 163860-26-2) is a chemical compound with molecular formula C7H7N3O2 and molecular weight 165.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroso-1,3-bis(prop-2-ynyl)urea
Also Known As: BPNU, 1-nitroso-1,3-bis(prop-2-ynyl)urea, 1,3-Bis(2-propynyl)-1-nitrosourea, 1-nitroso-1,3-diprop-2-yn-1-ylurea, N-Nitroso-N,N'-diprop-2-yn-1-ylurea
| Molecular Formula | C7H7N3O2 |
|---|---|
| Molecular Weight | 165.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.05383 |
| Heavy Atoms | 12 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 163860-26-2 |
|---|---|
| SMILES | C#CCNC(=O)N(CC#C)N=O |
| InChIKey | TWGIBGMGJQITKT-UHFFFAOYSA-N |
Product Overview
1-Nitroso-1,3-bis(prop-2-ynyl)urea (CAS 163860-26-2), with molecular formula C7H7N3O2 and molecular weight 165.05 g/mol. IUPAC: 1-nitroso-1,3-bis(prop-2-ynyl)urea.
Chemical Property Profile of 1-Nitroso-1,3-bis(prop-2-ynyl)urea
Property Insights of 1-Nitroso-1,3-bis(prop-2-ynyl)urea
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitroso-1,3-bis(prop-2-ynyl)urea. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitroso-1,3-bis(prop-2-ynyl)urea. Following Lipinski's Rule of Five, 1-Nitroso-1,3-bis(prop-2-ynyl)urea has 1 hydrogen bond donor(s) and 3 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 1-Nitroso-1,3-bis(prop-2-ynyl)urea?
The CAS number of 1-Nitroso-1,3-bis(prop-2-ynyl)urea is 163860-26-2.
What is the molecular formula of 1-Nitroso-1,3-bis(prop-2-ynyl)urea?
The molecular formula of 1-Nitroso-1,3-bis(prop-2-ynyl)urea is C7H7N3O2.
What is the molecular weight of 1-Nitroso-1,3-bis(prop-2-ynyl)urea?
The molecular weight of 1-Nitroso-1,3-bis(prop-2-ynyl)urea is 165.05 g/mol.
Where can I buy 1-Nitroso-1,3-bis(prop-2-ynyl)urea?
You can request a quote for 1-Nitroso-1,3-bis(prop-2-ynyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitroso-1,3-bis(prop-2-ynyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitroso-1,3-bis(prop-2-ynyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.