C18H12ClN3O6
TL;DR: C18H12ClN3O6 (CAS 1212331-84-4) is a chemical compound with molecular formula C18H12ClN3O6 and molecular weight 401.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, (3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione, (3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C18H12ClN3O6 |
|---|---|
| Molecular Weight | 401.04 g/mol |
| LogP | 2.5493 |
| Topological Polar Surface Area | 111.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.04147 |
| Heavy Atoms | 28 |
| Complexity | 1053.3665 |
Chemical Identifiers
| CAS Number | 1212331-84-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=CC=C4Cl |
Product Overview
C18H12ClN3O6 (CAS 1212331-84-4), with molecular formula C18H12ClN3O6 and molecular weight 401.04 g/mol. IUPAC: (3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of C18H12ClN3O6
Property Insights of C18H12ClN3O6
The XLogP value of 2.5493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H12ClN3O6. The TPSA of 111.34 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H12ClN3O6. Following Lipinski's Rule of Five, C18H12ClN3O6 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 C18H12ClN3O6?
The CAS number of C18H12ClN3O6 is 1212331-84-4.
What is the molecular formula of C18H12ClN3O6?
The molecular formula of C18H12ClN3O6 is C18H12ClN3O6.
What is the molecular weight of C18H12ClN3O6?
The molecular weight of C18H12ClN3O6 is 401.04 g/mol.
Where can I buy C18H12ClN3O6?
You can request a quote for C18H12ClN3O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H12ClN3O6?
Yes, KEHONG BIO provides custom synthesis services for C18H12ClN3O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.