N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea
TL;DR: N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea (CAS 80413-77-0) is a chemical compound with molecular formula C13H23N3O4 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(4-hydroxycyclohexyl)-1-nitrosourea
Also Known As: BHCNU, NIOSH/YS2713000, 1,3-Bis(4-hydroxycyclohexyl)-1-nitrosourea, N,N'-Bis(4-hydroxycyclohexyl)-N'-nitrosourea, 1,3-Bis(trans-4-hydroxycyclohexyl)-1-nitrosourea
| Molecular Formula | C13H23N3O4 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.16885 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 80413-77-0 |
|---|---|
| SMILES | C1CC(CCC1NC(=O)N(C2CCC(CC2)O)N=O)O |
| InChIKey | SWKQVWNDLMALCD-UHFFFAOYSA-N |
Product Overview
N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea (CAS 80413-77-0), with molecular formula C13H23N3O4 and molecular weight 285.17 g/mol. IUPAC: 1,3-bis(4-hydroxycyclohexyl)-1-nitrosourea.
Chemical Property Profile of N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea
Property Insights of N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea. Following Lipinski's Rule of Five, N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea has 3 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 N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea?
The CAS number of N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea is 80413-77-0.
What is the molecular formula of N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea?
The molecular formula of N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea is C13H23N3O4.
What is the molecular weight of N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea?
The molecular weight of N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea is 285.17 g/mol.
Where can I buy N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea?
You can request a quote for N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.