N6-Dibenzoyladenosine 2',3'-Dibenzoate
TL;DR: N6-Dibenzoyladenosine 2',3'-Dibenzoate (CAS 58463-04-0) is a chemical compound with molecular formula C38H29N5O8 and molecular weight 683.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-benzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] benzoate
Also Known As: N6-Dibenzoyladenosine 2',3'-Dibenzoate, [4-benzoyloxy-2-[6-(dibenzoylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-yl] Benzoate, [4-benzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] benzoate, 9-[2,3-bis-O-(phenylcarbonyl)pentofuranosyl]-N,N-bis(phenylcarbonyl)-9H-purin-6-amine, [(2R,3R,4R,5R)-4-benzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] benzoate
| Molecular Formula | C38H29N5O8 |
|---|---|
| Molecular Weight | 683.20 g/mol |
| LogP | 4.6544 |
| Topological Polar Surface Area | 163.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 683.2016 |
| Heavy Atoms | 51 |
| Complexity | 2130.39 |
Chemical Identifiers
| CAS Number | 58463-04-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N(C2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7 |
Product Overview
N6-Dibenzoyladenosine 2',3'-Dibenzoate (CAS 58463-04-0), with molecular formula C38H29N5O8 and molecular weight 683.20 g/mol. IUPAC: [4-benzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] benzoate.
Chemical Property Profile of N6-Dibenzoyladenosine 2',3'-Dibenzoate
Property Insights of N6-Dibenzoyladenosine 2',3'-Dibenzoate
The XLogP value of 4.6544 indicates that N6-Dibenzoyladenosine 2',3'-Dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.04 Ų indicates high polarity, suggesting N6-Dibenzoyladenosine 2',3'-Dibenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N6-Dibenzoyladenosine 2',3'-Dibenzoate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N6-Dibenzoyladenosine 2',3'-Dibenzoate?
The CAS number of N6-Dibenzoyladenosine 2',3'-Dibenzoate is 58463-04-0.
What is the molecular formula of N6-Dibenzoyladenosine 2',3'-Dibenzoate?
The molecular formula of N6-Dibenzoyladenosine 2',3'-Dibenzoate is C38H29N5O8.
What is the molecular weight of N6-Dibenzoyladenosine 2',3'-Dibenzoate?
The molecular weight of N6-Dibenzoyladenosine 2',3'-Dibenzoate is 683.20 g/mol.
Where can I buy N6-Dibenzoyladenosine 2',3'-Dibenzoate?
You can request a quote for N6-Dibenzoyladenosine 2',3'-Dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N6-Dibenzoyladenosine 2',3'-Dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for N6-Dibenzoyladenosine 2',3'-Dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.