C18H21ClN2O
TL;DR: C18H21ClN2O (CAS 620936-06-3) is a chemical compound with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-chlorophenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
Also Known As: AB01334495-02, (1R,4S,E)-N'-(2-chlorobenzylidene)-3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane-1-carbohydrazide, N'-[(E)-(2-chlorophenyl)methylidene]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
| Molecular Formula | C18H21ClN2O |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 4.1726 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.13425 |
| Heavy Atoms | 22 |
| Complexity | 664.8059 |
Chemical Identifiers
| CAS Number | 620936-06-3 |
|---|---|
| SMILES | CC1(C2CCC(C2)(C1=C)C(=O)N/N=C/C3=CC=CC=C3Cl)C |
Product Overview
C18H21ClN2O (CAS 620936-06-3), with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol. IUPAC: N-[(E)-(2-chlorophenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of C18H21ClN2O
Property Insights of C18H21ClN2O
The XLogP value of 4.1726 indicates that C18H21ClN2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.46 Ų, C18H21ClN2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H21ClN2O has 1 hydrogen bond donor(s) and 2 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 C18H21ClN2O?
The CAS number of C18H21ClN2O is 620936-06-3.
What is the molecular formula of C18H21ClN2O?
The molecular formula of C18H21ClN2O is C18H21ClN2O.
What is the molecular weight of C18H21ClN2O?
The molecular weight of C18H21ClN2O is 316.13 g/mol.
Where can I buy C18H21ClN2O?
You can request a quote for C18H21ClN2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H21ClN2O?
Yes, KEHONG BIO provides custom synthesis services for C18H21ClN2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.