AB00717852-01
TL;DR: AB00717852-01 (CAS 376386-05-9) is a chemical compound with molecular formula C22H21N5O3 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(2,5-dimethoxyphenyl)-N-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
Also Known As: AB00717852-01, 2-amino-1-(2,5-dimethoxyphenyl)-N-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-1-(2,5-dimethoxyphenyl)-N-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide, N-allyl-2-amino-1-(2,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
| Molecular Formula | C22H21N5O3 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 3.0889 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.16443 |
| Heavy Atoms | 30 |
| Complexity | 1278.9843 |
Chemical Identifiers
| CAS Number | 376386-05-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC=C)N |
Product Overview
AB00717852-01 (CAS 376386-05-9), with molecular formula C22H21N5O3 and molecular weight 403.16 g/mol. IUPAC: 2-amino-1-(2,5-dimethoxyphenyl)-N-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
Chemical Property Profile of AB00717852-01
Property Insights of AB00717852-01
The XLogP value of 3.0889 indicates that AB00717852-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00717852-01. Following Lipinski's Rule of Five, AB00717852-01 has 2 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 AB00717852-01?
The CAS number of AB00717852-01 is 376386-05-9.
What is the molecular formula of AB00717852-01?
The molecular formula of AB00717852-01 is C22H21N5O3.
What is the molecular weight of AB00717852-01?
The molecular weight of AB00717852-01 is 403.16 g/mol.
Where can I buy AB00717852-01?
You can request a quote for AB00717852-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00717852-01?
Yes, KEHONG BIO provides custom synthesis services for AB00717852-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.