Afb1-fapyr
TL;DR: Afb1-fapyr (CAS 83953-67-7) is a chemical compound with molecular formula C22H21N5O9 and molecular weight 499.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-diamino-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-N-(4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl)formamide
Also Known As: Afb1-fapyr, 2,3-Dihydro-2,3-(N(5)-formyl-2',5',6'-triamino-4-oxo-N(5)-pyrimidyl)-3-hydroxyaflatoxin B(1), Formamide, N-(2,4-diamino-1,4,5,6-tetrahydro-6-oxo-5-pyrimidinyl)-N-(1,2,3,6a,8,9,9a,11-octahydro-9-hydroxy-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl)-, N-(2,4-diamino-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-N-(4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl)formamide, N-(6-Amino-4-hydroxy-2-imino-1,2,5,6-tetrahydropyrimidin-5-yl)-N-(9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl)formamide
| Molecular Formula | C22H21N5O9 |
|---|---|
| Molecular Weight | 499.13 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.13394 |
| Heavy Atoms | 36 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 83953-67-7 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C(C(OC5OC4=C1)N(C=O)C6C(N=C(NC6=O)N)N)O |
| InChIKey | FHOGQUJXZQHYJR-UHFFFAOYSA-N |
Product Overview
Afb1-fapyr (CAS 83953-67-7), with molecular formula C22H21N5O9 and molecular weight 499.13 g/mol. IUPAC: N-(2,4-diamino-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-N-(4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl)formamide.
Chemical Property Profile of Afb1-fapyr
Property Insights of Afb1-fapyr
The XLogP value of -2.5 indicates that Afb1-fapyr is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting Afb1-fapyr may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Afb1-fapyr has 4 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 Afb1-fapyr?
The CAS number of Afb1-fapyr is 83953-67-7.
What is the molecular formula of Afb1-fapyr?
The molecular formula of Afb1-fapyr is C22H21N5O9.
What is the molecular weight of Afb1-fapyr?
The molecular weight of Afb1-fapyr is 499.13 g/mol.
Where can I buy Afb1-fapyr?
You can request a quote for Afb1-fapyr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Afb1-fapyr?
Yes, KEHONG BIO provides custom synthesis services for Afb1-fapyr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.