AB00685790-01
TL;DR: AB00685790-01 (CAS 1005052-57-2) is a chemical compound with molecular formula C21H14ClN3O5S and molecular weight 455.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-(4-nitrophenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: AB00685790-01, 2-(4-chlorophenyl)-5-(4-nitrophenyl)-3-(thiophen-2-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 2-(4-chlorophenyl)-5-(4-nitrophenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-5-(4-nitrophenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, F1275-0049
| Molecular Formula | C21H14ClN3O5S |
|---|---|
| Molecular Weight | 455.03 g/mol |
| LogP | 4.3608 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.03427 |
| Heavy Atoms | 31 |
| Complexity | 1166.7406 |
Chemical Identifiers
| CAS Number | 1005052-57-2 |
|---|---|
| SMILES | C1=CSC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])ON2C5=CC=C(C=C5)Cl |
Product Overview
AB00685790-01 (CAS 1005052-57-2), with molecular formula C21H14ClN3O5S and molecular weight 455.03 g/mol. IUPAC: 2-(4-chlorophenyl)-5-(4-nitrophenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of AB00685790-01
Property Insights of AB00685790-01
The XLogP value of 4.3608 indicates that AB00685790-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685790-01. Following Lipinski's Rule of Five, AB00685790-01 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 AB00685790-01?
The CAS number of AB00685790-01 is 1005052-57-2.
What is the molecular formula of AB00685790-01?
The molecular formula of AB00685790-01 is C21H14ClN3O5S.
What is the molecular weight of AB00685790-01?
The molecular weight of AB00685790-01 is 455.03 g/mol.
Where can I buy AB00685790-01?
You can request a quote for AB00685790-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685790-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685790-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.