AS-871/42864097
TL;DR: AS-871/42864097 (CAS 879913-48-1) is a chemical compound with molecular formula C26H25N3O5S and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: AS-871/42864097, 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione, 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-(1,3,4-thiadiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione, 1-[3-ethoxy-4-(isopentyloxy)phenyl]-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
| Molecular Formula | C26H25N3O5S |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 5.2179 |
| Topological Polar Surface Area | 94.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.1515 |
| Heavy Atoms | 35 |
| Complexity | 1430.954 |
Chemical Identifiers
| CAS Number | 879913-48-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2C4=NN=CS4)OC5=CC=CC=C5C3=O)OCCC(C)C |
Product Overview
AS-871/42864097 (CAS 879913-48-1), with molecular formula C26H25N3O5S and molecular weight 491.15 g/mol. IUPAC: 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
Chemical Property Profile of AS-871/42864097
Property Insights of AS-871/42864097
The XLogP value of 5.2179 indicates that AS-871/42864097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42864097. Following Lipinski's Rule of Five, AS-871/42864097 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AS-871/42864097?
The CAS number of AS-871/42864097 is 879913-48-1.
What is the molecular formula of AS-871/42864097?
The molecular formula of AS-871/42864097 is C26H25N3O5S.
What is the molecular weight of AS-871/42864097?
The molecular weight of AS-871/42864097 is 491.15 g/mol.
Where can I buy AS-871/42864097?
You can request a quote for AS-871/42864097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42864097?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42864097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.