AC1L4MAQ
2-(chloromethyl)oxirane;bis(3,10,13,16,23-pentaoxa-29-azatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene)
Also Known As: C23H23NO5.1/2C3H5ClO|C23-H23-N-O5.1/2C3-H5-Cl-O|2-(3,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)acrylonitrile|12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 9,20,22,23-tetrahydro-, compd. with (chloromethyl)oxirane (2:1)|2-(Chloromethyl)oxirane--19,20,22,23-tetrahydro-6H,12H-7,11-(azeno)dibenzo[b,k][1,4,7,10,13]pentaoxacycloicosine (1/2)|Oxirane, (chloromethyl)-, compd with 19,20,22,23-tetrahydro-12H-7,11-nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin (1:2)
| Molecular Formula | C49H51ClN2O11 |
|---|---|
| Molecular Weight | 878.3181 g/mol |
| LogP | 8.6788 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 1 |
| Exact Mass | 878.3181 |
| Monoisotopic Mass | 878.3181 |
| Heavy Atoms | 63 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 74261-20-4 |
|---|---|
| SMILES | C1COC2=CC=CC=C2OCC3=NC(=CC=C3)COC4=CC=CC=C4OCCO1.C1COC2=CC=CC=C2OCC3=NC(=CC=C3)COC4=CC=CC=C4OCCO1.C1C(O1)CCl |
| InChIKey | LLJNYWDKLDJBKK-UHFFFAOYSA-N |
Product Overview
AC1L4MAQ (CAS 74261-20-4), with molecular formula C49H51ClN2O11 and molecular weight 878.3181 g/mol. IUPAC: 2-(chloromethyl)oxirane;bis(3,10,13,16,23-pentaoxa-29-azatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene).
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