5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine
TL;DR: 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine (CAS 80097-75-2) is a chemical compound with molecular formula C19H16FN5O7S and molecular weight 477.08 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]methyl 4-fluorosulfonylbenzoate
Also Known As: Fsbn-ethenoadenosine, 5'-(4-Fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine, (5'-(p-Fluorosulfonyl)benzoyl)-1,N(6)-ethenoadenosine, [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methyl 4-fluorosulfonylbenzoate, 3h-imidazo(2,1-i)purine, 3-(5-o-(4-(fluorosulfonyl)benzoyl)-
| Molecular Formula | C19H16FN5O7S |
|---|---|
| Molecular Weight | 477.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.07544 |
| Heavy Atoms | 33 |
| Complexity | 839.0 |
Chemical Identifiers
| CAS Number | 80097-75-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN5C4=NC=C5)O)O)S(=O)(=O)F |
| InChIKey | HXVFORXFFWQLLY-SCFUHWHPSA-N |
Product Overview
5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine (CAS 80097-75-2), with molecular formula C19H16FN5O7S and molecular weight 477.08 g/mol. IUPAC: [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methyl 4-fluorosulfonylbenzoate.
Chemical Property Profile of 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine
Property Insights of 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine. The TPSA of 167.0 Ų indicates high polarity, suggesting 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine has 2 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 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine?
The CAS number of 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine is 80097-75-2.
What is the molecular formula of 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine?
The molecular formula of 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine is C19H16FN5O7S.
What is the molecular weight of 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine?
The molecular weight of 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine is 477.08 g/mol.
Where can I buy 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine?
You can request a quote for 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine?
Yes, KEHONG BIO provides custom synthesis services for 5'-(4-fluorosulfonylbenzoyl)-1,N(6)-ethenoadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.