3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate
TL;DR: 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate (CAS 110682-84-3) is a chemical compound with molecular formula C26H23N5O12P2 and molecular weight 659.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] 4-benzoylbenzoate
Also Known As: Bz(2)Epsilon ADP, 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate, [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] 4-benzoylbenzoate, 3/'(2/')-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenosine 5/'-diphosphate, 3H-Imidazo(2,1-i)purine, 3-(2(or 3)-O-(4-benzoylbenzoyl)-5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-
| Molecular Formula | C26H23N5O12P2 |
|---|---|
| Molecular Weight | 659.08 g/mol |
| LogP | 2.0202 |
| Topological Polar Surface Area | 234.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 659.08185 |
| Heavy Atoms | 45 |
| Complexity | 1982.7578 |
Chemical Identifiers
| CAS Number | 110682-84-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN6C5=NC=C6)O)O |
Product Overview
3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate (CAS 110682-84-3), with molecular formula C26H23N5O12P2 and molecular weight 659.08 g/mol. IUPAC: [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] 4-benzoylbenzoate.
Chemical Property Profile of 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate
Property Insights of 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate
The XLogP value of 2.0202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate. The TPSA of 234.13 Ų indicates high polarity, suggesting 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate?
The CAS number of 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate is 110682-84-3.
What is the molecular formula of 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate?
The molecular formula of 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate is C26H23N5O12P2.
What is the molecular weight of 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate?
The molecular weight of 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate is 659.08 g/mol.
Where can I buy 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate?
You can request a quote for 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 3'(2')-O-(4-Benzoylbenzoyl)-1,N(6)-ethenoadenosine 5'-diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.