1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate
TL;DR: 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate (CAS 241127-79-7) is a chemical compound with molecular formula C25H29NO4 and molecular weight 407.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantylmethyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
Also Known As: 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate, NCI60_032308, 1-adamantylmethyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate, Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, tricyclo[3.3.1.13,7]dec-1-ylmethyl ester, (Adamantan-1-yl)methyl 4-{[(2,5-dihydroxyphenyl)methyl]amino}benzoate
| Molecular Formula | C25H29NO4 |
|---|---|
| Molecular Weight | 407.21 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.20966 |
| Heavy Atoms | 30 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 241127-79-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O |
| InChIKey | MXKHJVTZHIIIMQ-UHFFFAOYSA-N |
Product Overview
1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate (CAS 241127-79-7), with molecular formula C25H29NO4 and molecular weight 407.21 g/mol. IUPAC: 1-adamantylmethyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate.
Chemical Property Profile of 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate
Property Insights of 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate
The XLogP value of 5.4 indicates that 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate. Following Lipinski's Rule of Five, 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate?
The CAS number of 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate is 241127-79-7.
What is the molecular formula of 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate?
The molecular formula of 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate is C25H29NO4.
What is the molecular weight of 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate?
The molecular weight of 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate is 407.21 g/mol.
Where can I buy 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate?
You can request a quote for 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.