AS-871/40975722
TL;DR: AS-871/40975722 (CAS 1005046-75-2) is a chemical compound with molecular formula C24H18ClN3O4S and molecular weight 479.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: AS-871/40975722, 2-(2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, F1312-0002, 2-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C24H18ClN3O4S |
|---|---|
| Molecular Weight | 479.07 g/mol |
| LogP | 4.79608 |
| Topological Polar Surface Area | 86.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 479.07065 |
| Heavy Atoms | 33 |
| Complexity | 1294.4586 |
Chemical Identifiers
| CAS Number | 1005046-75-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N3C(=O)C4C(N(OC4C3=O)C5=CC=C(C=C5)Cl)C6=CC=CO6)C#N |
Product Overview
AS-871/40975722 (CAS 1005046-75-2), with molecular formula C24H18ClN3O4S and molecular weight 479.07 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of AS-871/40975722
Property Insights of AS-871/40975722
The XLogP value of 4.79608 indicates that AS-871/40975722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/40975722. Following Lipinski's Rule of Five, AS-871/40975722 has 0 hydrogen bond donor(s) and 7 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-871/40975722?
The CAS number of AS-871/40975722 is 1005046-75-2.
What is the molecular formula of AS-871/40975722?
The molecular formula of AS-871/40975722 is C24H18ClN3O4S.
What is the molecular weight of AS-871/40975722?
The molecular weight of AS-871/40975722 is 479.07 g/mol.
Where can I buy AS-871/40975722?
You can request a quote for AS-871/40975722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40975722?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40975722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.