A1986/0083489
TL;DR: A1986/0083489 (CAS 317342-30-6) is a chemical compound with molecular formula C22H17FN2O7 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[1,3-benzodioxol-5-ylmethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoic acid
Also Known As: A1986/0083489, (2E)-4-{(1,3-benzodioxol-5-ylmethyl)[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoic acid, (E)-4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobut-2-enoic acid, (E)-4-[1,3-benzodioxol-5-ylmethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoic acid, (E)-4-{(1,3-benzodioxol-5-ylmethyl)[1-(4-fluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]amino}-4-oxo-2-butenoic acid
| Molecular Formula | C22H17FN2O7 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 1.8559 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.102 |
| Heavy Atoms | 32 |
| Complexity | 1129.5992 |
Chemical Identifiers
| CAS Number | 317342-30-6 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)N(CC3=CC4=C(C=C3)OCO4)C(=O)/C=C/C(=O)O |
Product Overview
A1986/0083489 (CAS 317342-30-6), with molecular formula C22H17FN2O7 and molecular weight 440.10 g/mol. IUPAC: (E)-4-[1,3-benzodioxol-5-ylmethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of A1986/0083489
Property Insights of A1986/0083489
The XLogP value of 1.8559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1986/0083489. The TPSA of 113.45 Ų falls within the moderate polarity range, balancing permeability and solubility for A1986/0083489. Following Lipinski's Rule of Five, A1986/0083489 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1986/0083489?
The CAS number of A1986/0083489 is 317342-30-6.
What is the molecular formula of A1986/0083489?
The molecular formula of A1986/0083489 is C22H17FN2O7.
What is the molecular weight of A1986/0083489?
The molecular weight of A1986/0083489 is 440.10 g/mol.
Where can I buy A1986/0083489?
You can request a quote for A1986/0083489 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1986/0083489?
Yes, KEHONG BIO provides custom synthesis services for A1986/0083489 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.