AS-871/40976601
TL;DR: AS-871/40976601 (CAS 1005070-75-6) is a chemical compound with molecular formula C25H21ClN2O5S and molecular weight 496.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(4-chlorophenyl)-4,6-dioxo-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
Also Known As: AS-871/40976601, F1275-0030, methyl 2-[2-(4-chlorophenyl)-4,6-dioxo-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate, methyl 2-(2-(4-chlorophenyl)-4,6-dioxo-3-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[2-(4-chlorophenyl)-4,6-dioxo-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C25H21ClN2O5S |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 4.85604 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.08597 |
| Heavy Atoms | 34 |
| Complexity | 1290.6398 |
Chemical Identifiers
| CAS Number | 1005070-75-6 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C |
Product Overview
AS-871/40976601 (CAS 1005070-75-6), with molecular formula C25H21ClN2O5S and molecular weight 496.09 g/mol. IUPAC: methyl 2-[2-(4-chlorophenyl)-4,6-dioxo-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of AS-871/40976601
Property Insights of AS-871/40976601
The XLogP value of 4.85604 indicates that AS-871/40976601 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/40976601. Following Lipinski's Rule of Five, AS-871/40976601 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-871/40976601?
The CAS number of AS-871/40976601 is 1005070-75-6.
What is the molecular formula of AS-871/40976601?
The molecular formula of AS-871/40976601 is C25H21ClN2O5S.
What is the molecular weight of AS-871/40976601?
The molecular weight of AS-871/40976601 is 496.09 g/mol.
Where can I buy AS-871/40976601?
You can request a quote for AS-871/40976601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40976601?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40976601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.