Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate
TL;DR: Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate (CAS 312747-57-2) is a chemical compound with molecular formula C30H34N2O6 and molecular weight 518.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[3-[2-(3-methoxycarbonylanilino)-2-oxoethyl]-1-adamantyl]acetyl]amino]benzoate
Also Known As: dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate, dimethyl 3,3'-((2,2'-((1s,3s,5r,7r)-adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate, dimethyl 3,3'-{tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis[(1-oxoethane-2,1-diyl)imino]}dibenzoate, Methyl 3-[[2-[3-[(3-methoxycarbonylphenyl)carbamoylmethyl]-1-adamantyl]acetyl]amino]benzoate, methyl 3-[[2-[3-[2-(3-methoxycarbonylanilino)-2-oxoethyl]-1-adamantyl]acetyl]amino]benzoate
| Molecular Formula | C30H34N2O6 |
|---|---|
| Molecular Weight | 518.24 g/mol |
| LogP | 5.2038 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.2417 |
| Heavy Atoms | 38 |
| Complexity | 1163.3943 |
Chemical Identifiers
| CAS Number | 312747-57-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)CC(=O)NC5=CC=CC(=C5)C(=O)OC |
Product Overview
Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate (CAS 312747-57-2), with molecular formula C30H34N2O6 and molecular weight 518.24 g/mol. IUPAC: methyl 3-[[2-[3-[2-(3-methoxycarbonylanilino)-2-oxoethyl]-1-adamantyl]acetyl]amino]benzoate.
Chemical Property Profile of Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate
Property Insights of Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate
The XLogP value of 5.2038 indicates that Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate. Following Lipinski's Rule of Five, Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate?
The CAS number of Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate is 312747-57-2.
What is the molecular formula of Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate?
The molecular formula of Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate is C30H34N2O6.
What is the molecular weight of Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate?
The molecular weight of Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate is 518.24 g/mol.
Where can I buy Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate?
You can request a quote for Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3,3'-((2,2'-(adamantane-1,3-diyl)bis(acetyl))bis(azanediyl))dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.