2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate
TL;DR: 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate (CAS 122193-68-4) is a chemical compound with molecular formula C26H23N5O11P2 and molecular weight 643.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-5-imidazo[2,1-f]purin-3-yloxolan-3-yl] 4-benzoylbenzoate
Also Known As: 3'(BZ2)2'd-Epsilon ADP, 1,4-Benzenediamine,ar,ar-dichloro-(9CI), 2'-Deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate, [(2R,3S,5R)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-5-imidazo[2,1-f]purin-3-yloxolan-3-yl] 4-benzoylbenzoate, 3-{3-o-(4-benzoylbenzoyl)-2-deoxy-5-o-[hydroxy(phosphonooxy)phosphoryl]-
| Molecular Formula | C26H23N5O11P2 |
|---|---|
| Molecular Weight | 643.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 643.0869 |
| Heavy Atoms | 44 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 122193-68-4 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN4C3=NC=C4)COP(=O)(O)OP(=O)(O)O)OC(=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6 |
| InChIKey | AWGGGKHLXXQILD-PWRODBHTSA-N |
Product Overview
2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate (CAS 122193-68-4), with molecular formula C26H23N5O11P2 and molecular weight 643.09 g/mol. IUPAC: [(2R,3S,5R)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-5-imidazo[2,1-f]purin-3-yloxolan-3-yl] 4-benzoylbenzoate.
Chemical Property Profile of 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate
Property Insights of 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate. The TPSA of 214.0 Ų indicates high polarity, suggesting 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate?
The CAS number of 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate is 122193-68-4.
What is the molecular formula of 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate?
The molecular formula of 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate is C26H23N5O11P2.
What is the molecular weight of 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate?
The molecular weight of 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate is 643.09 g/mol.
Where can I buy 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate?
You can request a quote for 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 2'-deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.