7,12-Dimethylbenz(a)anthracene anti-diolepoxide
TL;DR: 7,12-Dimethylbenz(a)anthracene anti-diolepoxide (CAS 86941-58-4) is a chemical compound with molecular formula C20H18O3 and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,6R,7S)-12,19-dimethyl-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
Also Known As: 7,12-Dimethylbenz(a)anthracene anti-diolepoxide, (1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol, (+-)-anti-7,12-Dimethylbenz(a)anthracene-3,4-dihydrodiol 1,2-epoxide, (3S,5R,6R,7S)-12,19-Dimethyl-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol, 1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo(6,7)phenanthro(3,4-b)oxirene-2,3-diol (1aalpha,2beta,3alpha,11calpha)-
| Molecular Formula | C20H18O3 |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.12558 |
| Heavy Atoms | 23 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 86941-58-4 |
|---|---|
| SMILES | CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)[C@H]5[C@H](O5)[C@@H]([C@H]3O)O |
| InChIKey | SZIWZGXOWBSPTO-ZGXWSNOMSA-N |
Product Overview
7,12-Dimethylbenz(a)anthracene anti-diolepoxide (CAS 86941-58-4), with molecular formula C20H18O3 and molecular weight 306.13 g/mol. IUPAC: (3S,5R,6R,7S)-12,19-dimethyl-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol.
Chemical Property Profile of 7,12-Dimethylbenz(a)anthracene anti-diolepoxide
Property Insights of 7,12-Dimethylbenz(a)anthracene anti-diolepoxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,12-Dimethylbenz(a)anthracene anti-diolepoxide. With a topological polar surface area (TPSA) of 53.0 Ų, 7,12-Dimethylbenz(a)anthracene anti-diolepoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,12-Dimethylbenz(a)anthracene anti-diolepoxide has 2 hydrogen bond donor(s) and 3 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 7,12-Dimethylbenz(a)anthracene anti-diolepoxide?
The CAS number of 7,12-Dimethylbenz(a)anthracene anti-diolepoxide is 86941-58-4.
What is the molecular formula of 7,12-Dimethylbenz(a)anthracene anti-diolepoxide?
The molecular formula of 7,12-Dimethylbenz(a)anthracene anti-diolepoxide is C20H18O3.
What is the molecular weight of 7,12-Dimethylbenz(a)anthracene anti-diolepoxide?
The molecular weight of 7,12-Dimethylbenz(a)anthracene anti-diolepoxide is 306.13 g/mol.
Where can I buy 7,12-Dimethylbenz(a)anthracene anti-diolepoxide?
You can request a quote for 7,12-Dimethylbenz(a)anthracene anti-diolepoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,12-Dimethylbenz(a)anthracene anti-diolepoxide?
Yes, KEHONG BIO provides custom synthesis services for 7,12-Dimethylbenz(a)anthracene anti-diolepoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.