RefChem:335341
TL;DR: RefChem:335341 (CAS 60285-32-7) is a chemical compound with molecular formula C11H18ClN3O4 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
Also Known As: Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, (E)-, Cyclohexanecarboxylic acid, methyl ester, (E)-, Cyclohexanecarboxylic acid, methyl ester, (Z)-, Cyclohexanecarboxylic acid, methyl ester, cis-, Cyclohexanecarboxylic acid, methyl ester, trans-
| Molecular Formula | C11H18ClN3O4 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.09857 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 60285-32-7 |
|---|---|
| SMILES | COC(=O)C1CCC(CC1)NC(=O)N(CCCl)N=O |
| InChIKey | YSVWGWBSXUMUGW-UHFFFAOYSA-N |
Product Overview
RefChem:335341 (CAS 60285-32-7), with molecular formula C11H18ClN3O4 and molecular weight 291.10 g/mol. IUPAC: methyl 4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate.
Chemical Property Profile of RefChem:335341
Property Insights of RefChem:335341
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:335341. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:335341. Following Lipinski's Rule of Five, RefChem:335341 has 1 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 RefChem:335341?
The CAS number of RefChem:335341 is 60285-32-7.
What is the molecular formula of RefChem:335341?
The molecular formula of RefChem:335341 is C11H18ClN3O4.
What is the molecular weight of RefChem:335341?
The molecular weight of RefChem:335341 is 291.10 g/mol.
Where can I buy RefChem:335341?
You can request a quote for RefChem:335341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335341?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.