(2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate
TL;DR: (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate (CAS 438598-07-3) is a chemical compound with molecular formula C19H22ClNO3 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate
Also Known As: (2-anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate, 2-Anilino-2-oxoethyl 3-chloroadamantane-1-carboxylate
| Molecular Formula | C19H22ClNO3 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 3.7461 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.1288 |
| Heavy Atoms | 24 |
| Complexity | 645.8356 |
Chemical Identifiers
| CAS Number | 438598-07-3 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NC4=CC=CC=C4 |
Product Overview
(2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate (CAS 438598-07-3), with molecular formula C19H22ClNO3 and molecular weight 347.13 g/mol. IUPAC: (2-anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate.
Chemical Property Profile of (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate
Property Insights of (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate
The XLogP value of 3.7461 indicates that (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate has 1 hydrogen bond donor(s) and 3 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 (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate?
The CAS number of (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate is 438598-07-3.
What is the molecular formula of (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate?
The molecular formula of (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate is C19H22ClNO3.
What is the molecular weight of (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate?
The molecular weight of (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate is 347.13 g/mol.
Where can I buy (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate?
You can request a quote for (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.