trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea
TL;DR: trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea (CAS 74729-55-8) is a chemical compound with molecular formula C10H18ClN3O4 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[(2S,6R)-2,6-dihydroxy-4-methylcyclohexyl]-1-nitrosourea
Also Known As: KST-1B8592, trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea, 1-(2-chloroethyl)-3-[(2r,6s)-2,6-dihydroxy-4-methylcyclohexyl]-1-nitrosourea, Urea, 1-(2-chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitroso-, (E)-, Urea, N-(2-chloroethyl)-N'-(2,6-dihydroxy-4-methylcyclohexyl)-N-nitroso-, (1-alpha,2-beta,4-beta,6-beta)-
| Molecular Formula | C10H18ClN3O4 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.09857 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 74729-55-8 |
|---|---|
| SMILES | CC1C[C@H](C([C@H](C1)O)NC(=O)N(CCCl)N=O)O |
| InChIKey | KFECAZUQVXZGCG-VGKQMMLZSA-N |
Product Overview
trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea (CAS 74729-55-8), with molecular formula C10H18ClN3O4 and molecular weight 279.10 g/mol. IUPAC: 1-(2-chloroethyl)-3-[(2S,6R)-2,6-dihydroxy-4-methylcyclohexyl]-1-nitrosourea.
Chemical Property Profile of trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea
Property Insights of trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea. Following Lipinski's Rule of Five, trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-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 trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea?
The CAS number of trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea is 74729-55-8.
What is the molecular formula of trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea?
The molecular formula of trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea is C10H18ClN3O4.
What is the molecular weight of trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea?
The molecular weight of trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea is 279.10 g/mol.
Where can I buy trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea?
You can request a quote for trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for trans-1-(2-Chloroethyl)-3-(2,6-dihydroxy-4-methylcyclohexyl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.