![4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester structure](/static/products/1217/121768-34-1.webp)
4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester
TL;DR: 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester (CAS 121768-34-1) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(adamantane-1-carbonylamino)benzoate
Also Known As: methyl 4-(adamantane-1-amido)benzoate, BAS 00099382, methyl 4-(adamantanylcarbonylamino)benzoate, methyl 4-(adamantane-1-carbonylamino)benzoate, methyl 4-[(1-adamantylcarbonyl)amino]benzoate
Technical Specifications
| Molecular Formula | C19H23NO3 |
| Molecular Weight | 313.1678 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1678 Da |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3 |
| InChIKey | FXQSIFYTVIYLTM-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester
Property Insights of 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester
The XLogP value of 4.4 indicates that 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester 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
What is the CAS number of 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester?
The CAS number of 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester is 121768-34-1.
What is the molecular formula of 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester?
The molecular formula of 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester is C19H23NO3.
What is the molecular weight of 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester?
The molecular weight of 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester is 313.1678 g/mol.
Where can I buy 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester?
You can request a quote for 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for 4-[(Adamantane-1-carbonyl)-amino]-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.