Bof A1
TL;DR: Bof A1 (CAS 103767-48-2) is a chemical compound with molecular formula C37H27FN4O10 and molecular weight 706.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-benzoyloxy-3-cyano-2-pyridinyl) 3-[5-fluoro-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-2,6-dioxopyrimidine-1-carbonyl]benzoate
Also Known As: Bof A1, Bof-A1, 3-(3-(6-Benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl)-3'-O-benzyl-2'-deoxy-5-fluorouridine, (6-benzoyloxy-3-cyanopyridin-2-yl) 3-[5-fluoro-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-2,6-dioxopyrimidine-1-carbonyl]benzoate, Benzoic acid, 3-((3-(2-deoxy-3-O-(phenylmethyl)-beta-D-erythro-pentofuranosyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
| Molecular Formula | C37H27FN4O10 |
|---|---|
| Molecular Weight | 706.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 706.17114 |
| Heavy Atoms | 52 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 103767-48-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)N(C2=O)C(=O)C3=CC(=CC=C3)C(=O)OC4=C(C=CC(=N4)OC(=O)C5=CC=CC=C5)C#N)F)CO)OCC6=CC=CC=C6 |
| InChIKey | PAHPJMYGNYNQPV-ILJQZKEFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bof A1 (CAS 103767-48-2), with molecular formula C37H27FN4O10 and molecular weight 706.17 g/mol. IUPAC: (6-benzoyloxy-3-cyano-2-pyridinyl) 3-[5-fluoro-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-2,6-dioxopyrimidine-1-carbonyl]benzoate.
Chemical Property Profile of Bof A1
Property Insights of Bof A1
The XLogP value of 4.2 indicates that Bof A1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting Bof A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bof A1 has 1 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 Bof A1?
The CAS number of Bof A1 is 103767-48-2.
What is the molecular formula of Bof A1?
The molecular formula of Bof A1 is C37H27FN4O10.
What is the molecular weight of Bof A1?
The molecular weight of Bof A1 is 706.17 g/mol.
Where can I buy Bof A1?
You can request a quote for Bof A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bof A1?
Yes, KEHONG BIO provides custom synthesis services for Bof A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.