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二甲基苯并[a]蒽-8,9-二醇-10,11-环氧化物
TL;DR: 二甲基苯并[a]蒽-8,9-二醇-10,11-环氧化物 (CAS 65763-31-7) 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.
二甲基苯并[a]蒽-8,9-二醇-10,11-环氧化物
(4S,7S,8R)-2,10-dimethyl-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
Also Known As: Dimethylbenz(a)anthracene-8,9-diol-10,11-epoxide, 7,12-Dimethylbenz(a)anthracene-8,9-diol-10-11-epoxide, anti, 4,11-Dimethyl-1a,2,3,11b-tetrahydrotetrapheno[10,11-b]oxirene-2,3-diol, Benz(7,8)anthra(1,2-b)oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-4,11-dimethyl-, (1a-alpha,2-beta,3-alpha,11b-alpha)-, (2S,3R,11bS)-4,11-Dimethyl-1a,2,3,11b-tetrahydrotetrapheno[10,11-b]oxirene-2,3-diol
| Molecular Formula | C20H18O3 |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 3.0 |
| 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 | 65763-31-7 |
|---|---|
| SMILES | CC1=C2C=CC3=CC=CC=C3C2=C(C4=C1[C@H]([C@@H](C5[C@H]4O5)O)O)C |
| InChIKey | HPHSHHQQIRFIJX-QYRWZOIFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二甲基苯并[a]蒽-8,9-二醇-10,11-环氧化物 (CAS 65763-31-7), with molecular formula C20H18O3 and molecular weight 306.13 g/mol. IUPAC: (4S,7S,8R)-2,10-dimethyl-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol.
Chemical Property Profile of 二甲基苯并[a]蒽-8,9-二醇-10,11-环氧化物
Property Insights of 二甲基苯并[a]蒽-8,9-二醇-10,11-环氧化物
The XLogP value of 3.0 indicates that 二甲基苯并(a)蒽-8,9-二醇-10,11-环氧化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 二甲基苯并[a]蒽-8,9-二醇-10,11-环氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二甲基苯并(a)蒽-8,9-二醇-10,11-环氧化物 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 二甲基苯并(a)蒽-8,9-二醇-10,11-环氧化物?
The CAS number of 二甲基苯并(a)蒽-8,9-二醇-10,11-环氧化物 is 65763-31-7.
What is the molecular formula of 二甲基苯并(a)蒽-8,9-二醇-10,11-环氧化物?
The molecular formula of 二甲基苯并(a)蒽-8,9-二醇-10,11-环氧化物 is C20H18O3.
What is the molecular weight of 二甲基苯并(a)蒽-8,9-二醇-10,11-环氧化物?
The molecular weight of 二甲基苯并(a)蒽-8,9-二醇-10,11-环氧化物 is 306.13 g/mol.
Where can I buy 二甲基苯并(a)蒽-8,9-二醇-10,11-环氧化物?
You can request a quote for 二甲基苯并(a)蒽-8,9-二醇-10,11-环氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲基苯并(a)蒽-8,9-二醇-10,11-环氧化物?
Yes, KEHONG BIO provides custom synthesis services for 二甲基苯并(a)蒽-8,9-二醇-10,11-环氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.