AS-871/42507102
TL;DR: AS-871/42507102 (CAS 631867-22-6) is a chemical compound with molecular formula C26H28N2O5 and molecular weight 448.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[3-(diethylamino)propyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: AS-871/42507102, methyl 4-[2-[3-(diethylamino)propyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-{2-[3-(diethylamino)propyl]-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl}benzoate, methyl 4-(2-(3-(diethylamino)propyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
| Molecular Formula | C26H28N2O5 |
|---|---|
| Molecular Weight | 448.20 g/mol |
| LogP | 3.8567 |
| Topological Polar Surface Area | 80.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.19983 |
| Heavy Atoms | 33 |
| Complexity | 1227.656 |
Chemical Identifiers
| CAS Number | 631867-22-6 |
|---|---|
| SMILES | CCN(CC)CCCN1C(C2=C(C1=O)OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)OC |
Product Overview
AS-871/42507102 (CAS 631867-22-6), with molecular formula C26H28N2O5 and molecular weight 448.20 g/mol. IUPAC: methyl 4-[2-[3-(diethylamino)propyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of AS-871/42507102
Property Insights of AS-871/42507102
The XLogP value of 3.8567 indicates that AS-871/42507102 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42507102. Following Lipinski's Rule of Five, AS-871/42507102 has 0 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 AS-871/42507102?
The CAS number of AS-871/42507102 is 631867-22-6.
What is the molecular formula of AS-871/42507102?
The molecular formula of AS-871/42507102 is C26H28N2O5.
What is the molecular weight of AS-871/42507102?
The molecular weight of AS-871/42507102 is 448.20 g/mol.
Where can I buy AS-871/42507102?
You can request a quote for AS-871/42507102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42507102?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42507102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.