cis-2-Hydroxy-CCNU
TL;DR: cis-2-Hydroxy-CCNU (CAS 66052-62-8) is a chemical compound with molecular formula C9H16ClN3O3 and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[(1R,2S)-2-hydroxycyclohexyl]-1-nitrosourea
Also Known As: cis-2-Hydroxy-CCNU, 2-Hydroxylomustine, cis-2-OH-CCNU, 1-(2-Chloroethyl)-3-(cis-2-hydroxycyclohexyl)-1-nitrosourea, J1.580.247B
| Molecular Formula | C9H16ClN3O3 |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.08801 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 66052-62-8 |
|---|---|
| SMILES | C1CC[C@@H]([C@@H](C1)NC(=O)N(CCCl)N=O)O |
| InChIKey | STQSMIAHSQBRBH-SFYZADRCSA-N |
Product Overview
cis-2-Hydroxy-CCNU (CAS 66052-62-8), with molecular formula C9H16ClN3O3 and molecular weight 249.09 g/mol. IUPAC: 1-(2-chloroethyl)-3-[(1R,2S)-2-hydroxycyclohexyl]-1-nitrosourea.
Chemical Property Profile of cis-2-Hydroxy-CCNU
Property Insights of cis-2-Hydroxy-CCNU
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-2-Hydroxy-CCNU. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-2-Hydroxy-CCNU. Following Lipinski's Rule of Five, cis-2-Hydroxy-CCNU has 2 hydrogen bond donor(s) and 4 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 cis-2-Hydroxy-CCNU?
The CAS number of cis-2-Hydroxy-CCNU is 66052-62-8.
What is the molecular formula of cis-2-Hydroxy-CCNU?
The molecular formula of cis-2-Hydroxy-CCNU is C9H16ClN3O3.
What is the molecular weight of cis-2-Hydroxy-CCNU?
The molecular weight of cis-2-Hydroxy-CCNU is 249.09 g/mol.
Where can I buy cis-2-Hydroxy-CCNU?
You can request a quote for cis-2-Hydroxy-CCNU directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-2-Hydroxy-CCNU?
Yes, KEHONG BIO provides custom synthesis services for cis-2-Hydroxy-CCNU and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.