3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea
TL;DR: 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea (CAS 14039-10-2) is a chemical compound with molecular formula C13H20ClN3O2 and molecular weight 285.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-adamantyl)-1-(2-chloroethyl)-1-nitrosourea
Also Known As: Urea,7]dec-1-yl-, Urea,7)]dec-1-yl-, SRI 2587, 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea, NCIOpen2_005111
| Molecular Formula | C13H20ClN3O2 |
|---|---|
| Molecular Weight | 285.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.1244 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 14039-10-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)N(CCCl)N=O |
| InChIKey | OWGOPGLJEHFHQR-UHFFFAOYSA-N |
Product Overview
3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea (CAS 14039-10-2), with molecular formula C13H20ClN3O2 and molecular weight 285.12 g/mol. IUPAC: 3-(1-adamantyl)-1-(2-chloroethyl)-1-nitrosourea.
Chemical Property Profile of 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea
Property Insights of 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea
The XLogP value of 3.6 indicates that 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea. Following Lipinski's Rule of Five, 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea 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 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea?
The CAS number of 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea is 14039-10-2.
What is the molecular formula of 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea?
The molecular formula of 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea is C13H20ClN3O2.
What is the molecular weight of 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea?
The molecular weight of 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea is 285.12 g/mol.
Where can I buy 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea?
You can request a quote for 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.