Methyl 2-(adamantanylcarbonylamino)benzoate
TL;DR: Methyl 2-(adamantanylcarbonylamino)benzoate (CAS 62248-27-5) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(adamantane-1-carbonylamino)benzoate
Also Known As: IFLab1_001698, methyl 2-(adamantane-1-amido)benzoate, BAS 00134603, methyl 2-(adamantanylcarbonylamino)benzoate, methyl 2-(adamantane-1-carbonylamino)benzoate
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 3.6281 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 616.48553 |
Chemical Identifiers
| CAS Number | 62248-27-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
Methyl 2-(adamantanylcarbonylamino)benzoate (CAS 62248-27-5), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: methyl 2-(adamantane-1-carbonylamino)benzoate.
Chemical Property Profile of Methyl 2-(adamantanylcarbonylamino)benzoate
Property Insights of Methyl 2-(adamantanylcarbonylamino)benzoate
The XLogP value of 3.6281 indicates that Methyl 2-(adamantanylcarbonylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(adamantanylcarbonylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(adamantanylcarbonylamino)benzoate 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 Methyl 2-(adamantanylcarbonylamino)benzoate?
The CAS number of Methyl 2-(adamantanylcarbonylamino)benzoate is 62248-27-5.
What is the molecular formula of Methyl 2-(adamantanylcarbonylamino)benzoate?
The molecular formula of Methyl 2-(adamantanylcarbonylamino)benzoate is C19H23NO3.
What is the molecular weight of Methyl 2-(adamantanylcarbonylamino)benzoate?
The molecular weight of Methyl 2-(adamantanylcarbonylamino)benzoate is 313.17 g/mol.
Where can I buy Methyl 2-(adamantanylcarbonylamino)benzoate?
You can request a quote for Methyl 2-(adamantanylcarbonylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(adamantanylcarbonylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(adamantanylcarbonylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.