TL;DR: RefChem:77715 (CAS 153857-28-4) is a chemical compound with molecular formula C24H16O3 and molecular weight 352.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5R,6S,7R)-4-oxaheptacyclo[11.10.2.02,8.03,5.010,24.017,25.018,23]pentacosa-1(24),2(8),9,11,13(25),14,16,18,20,22-decaene-6,7-diol
Also Known As: syn-Dibenzo(a,l)pyrene diolepoxide, 11,12-Dihydroxy-13,14-epoxy-11,12,13,14-tetrahydrodibenzo(a,l)pyrene, syn-Dibenzo(a,l)pyrene-11,12-dihydrodiol-13,14-epoxide, Dibenzo(5,6:10,11)chryseno(3,4-b)oxirene-11,12-diol, 11,12,12a,13a-tetrahydro-, (11R,12S,12aR,13aS)-rel-, syn-11,12,12a,13a-Tetrahydrodibenzo(5,6:10,11)chryseno(3,4-b)oxirene-11,12-diol
| Molecular Formula | C24H16O3 |
| Molecular Weight | 352.10995 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 352.10995 Da |
| Heavy Atoms | 27 |
| Complexity | 621.0 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C2C6=C(C=C5C=C4)[C@H]([C@@H]([C@@H]7[C@H]6O7)O)O |
| InChIKey | CJAMAUFDXDSQLU-NAVOZUGXSA-N |
The XLogP value of 3.6 indicates that RefChem:77715 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, RefChem:77715 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:77715 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:77715 is 153857-28-4.
The molecular formula of RefChem:77715 is C24H16O3.
The molecular weight of RefChem:77715 is 352.10995 g/mol.
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