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反-(±)-苯并[a]蒽-3,4-二醇-1,2-氧化物
TL;DR: 反-(±)-苯并[a]蒽-3,4-二醇-1,2-氧化物 (CAS 64598-81-8) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
反-(±)-苯并[a]蒽-3,4-二醇-1,2-氧化物
(3S,6R,7R)-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: Ecipramidil, BA 3,4-Diol-1,2-epoxide-1, Benz(a)anthracene-3,4-diol-1,2-epoxide, anti-(+/-)-Benz(a)anthracene-3,4-diol-1,2-oxide, BENZ[A]ANTHRACENE-3,4-DIOL-1,2-EPOXIDE
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.0943 |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 64598-81-8 |
|---|---|
| SMILES | C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3[C@H]5C(O5)[C@@H]([C@@H]4O)O |
| InChIKey | JNQSJMYLVFOQBK-HRBLRVMOSA-N |
Product Overview
反-(±)-苯并[a]蒽-3,4-二醇-1,2-氧化物 (CAS 64598-81-8), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: (3S,6R,7R)-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 反-(±)-苯并[a]蒽-3,4-二醇-1,2-氧化物
Property Insights of 反-(±)-苯并[a]蒽-3,4-二醇-1,2-氧化物
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 反-(±)-苯并[a]蒽-3,4-二醇-1,2-氧化物. With a topological polar surface area (TPSA) of 53.0 Ų, 反-(±)-苯并[a]蒽-3,4-二醇-1,2-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 反-(±)-苯并(a)蒽-3,4-二醇-1,2-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 反-(±)-苯并(a)蒽-3,4-二醇-1,2-氧化物?
The CAS number of 反-(±)-苯并(a)蒽-3,4-二醇-1,2-氧化物 is 64598-81-8.
What is the molecular formula of 反-(±)-苯并(a)蒽-3,4-二醇-1,2-氧化物?
The molecular formula of 反-(±)-苯并(a)蒽-3,4-二醇-1,2-氧化物 is C18H14O3.
What is the molecular weight of 反-(±)-苯并(a)蒽-3,4-二醇-1,2-氧化物?
The molecular weight of 反-(±)-苯并(a)蒽-3,4-二醇-1,2-氧化物 is 278.09 g/mol.
Where can I buy 反-(±)-苯并(a)蒽-3,4-二醇-1,2-氧化物?
You can request a quote for 反-(±)-苯并(a)蒽-3,4-二醇-1,2-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 反-(±)-苯并(a)蒽-3,4-二醇-1,2-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 反-(±)-苯并(a)蒽-3,4-二醇-1,2-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.