4-Hydroxylomustine
TL;DR: 4-Hydroxylomustine (CAS 52049-26-0) 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-(4-hydroxycyclohexyl)-1-nitrosourea
Also Known As: trans-4-OH CCNU, 4-Hydroxylomustine, cis-4-Hydroxy-ccnu, cis-4-Hydroxy-lomustine, trans-4-Hydroxy-ccnu
| Molecular Formula | C9H16ClN3O3 |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 1.1 |
| 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 | 244.0 |
Chemical Identifiers
| CAS Number | 52049-26-0 |
|---|---|
| SMILES | C1CC(CCC1NC(=O)N(CCCl)N=O)O |
| InChIKey | BTNKSMIZKSHDNT-UHFFFAOYSA-N |
Product Overview
4-Hydroxylomustine (CAS 52049-26-0), with molecular formula C9H16ClN3O3 and molecular weight 249.09 g/mol. IUPAC: 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitrosourea.
Chemical Property Profile of 4-Hydroxylomustine
Property Insights of 4-Hydroxylomustine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxylomustine. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxylomustine. Following Lipinski's Rule of Five, 4-Hydroxylomustine 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 4-Hydroxylomustine?
The CAS number of 4-Hydroxylomustine is 52049-26-0.
What is the molecular formula of 4-Hydroxylomustine?
The molecular formula of 4-Hydroxylomustine is C9H16ClN3O3.
What is the molecular weight of 4-Hydroxylomustine?
The molecular weight of 4-Hydroxylomustine is 249.09 g/mol.
Where can I buy 4-Hydroxylomustine?
You can request a quote for 4-Hydroxylomustine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxylomustine?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxylomustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.