N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine
TL;DR: N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine (CAS 78699-78-2) is a chemical compound with molecular formula C36H29N5O5 and molecular weight 611.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[9-[(2R,4S)-4-hydroxy-5-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-2-yl]purin-6-yl]benzamide
Also Known As: Silacyclohexa-2,4-diene,1-methyl, N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine, Adenosine, N-benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)-, 9-[(4xi)-2-Deoxy-5-O-(9-phenyl-9H-xanthen-9-yl)-beta-D-glycero-pentofuranosyl]-6-{[hydroxy(phenyl)methylidene]amino}-9H-purine, 9-[2-Deoxy-5-O-(9-phenyl-9H-xanthen-9-yl)pentofuranosyl]-6-{[hydroxy(phenyl)methylidene]amino}-9H-purine
| Molecular Formula | C36H29N5O5 |
|---|---|
| Molecular Weight | 611.22 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 611.21686 |
| Heavy Atoms | 46 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 78699-78-2 |
|---|---|
| SMILES | C1[C@@H](C(O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC5(C6=CC=CC=C6OC7=CC=CC=C75)C8=CC=CC=C8)O |
| InChIKey | WXBSDUGZASBMQA-YDLIZLEUSA-N |
Product Overview
N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine (CAS 78699-78-2), with molecular formula C36H29N5O5 and molecular weight 611.22 g/mol. IUPAC: N-[9-[(2R,4S)-4-hydroxy-5-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-2-yl]purin-6-yl]benzamide.
Chemical Property Profile of N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine
Property Insights of N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine
The XLogP value of 4.5 indicates that N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine. Following Lipinski's Rule of Five, N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine?
The CAS number of N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine is 78699-78-2.
What is the molecular formula of N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine?
The molecular formula of N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine is C36H29N5O5.
What is the molecular weight of N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine?
The molecular weight of N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine is 611.22 g/mol.
Where can I buy N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine?
You can request a quote for N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine?
Yes, KEHONG BIO provides custom synthesis services for N-Benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.