Einecs 241-014-9
TL;DR: Einecs 241-014-9 (CAS 1701-32-2) is a chemical compound with molecular formula C22H42N2O4 and molecular weight 398.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexylcyclohexanamine;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: Boc-Val-OH*DCHA, BOC-VAL-OH DCHA, N-Cyclohexylcyclohexanamine, EINECS 241-014-9, N-((tert-Butoxy)carbonyl)-L-valine, compound with dicyclohexylamine (1:1)
| Molecular Formula | C22H42N2O4 |
|---|---|
| Molecular Weight | 398.31 g/mol |
| LogP | 4.8617 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.31445 |
| Heavy Atoms | 28 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 1701-32-2 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2 |
| InChIKey | ZXQUVHMSZOXTOI-UHFFFAOYSA-N |
Product Overview
Einecs 241-014-9 (CAS 1701-32-2), with molecular formula C22H42N2O4 and molecular weight 398.31 g/mol. IUPAC: N-cyclohexylcyclohexanamine;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of Einecs 241-014-9
Property Insights of Einecs 241-014-9
The XLogP value of 4.8617 indicates that Einecs 241-014-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 241-014-9. Following Lipinski's Rule of Five, Einecs 241-014-9 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 Einecs 241-014-9?
The CAS number of Einecs 241-014-9 is 1701-32-2.
What is the molecular formula of Einecs 241-014-9?
The molecular formula of Einecs 241-014-9 is C22H42N2O4.
What is the molecular weight of Einecs 241-014-9?
The molecular weight of Einecs 241-014-9 is 398.31 g/mol.
Where can I buy Einecs 241-014-9?
You can request a quote for Einecs 241-014-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 241-014-9?
Yes, KEHONG BIO provides custom synthesis services for Einecs 241-014-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.