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(-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene
TL;DR: (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene (CAS 60864-95-1) is a chemical compound with molecular formula C20H14O2 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8R)-7,8-dihydrobenzo[a]pyrene-7,8-diol
Also Known As: (-)-trans-BP 7,8-dihydrodiol, (-)-Bap-7,8-diol, (-)-Benzo(a)pyrene-7R,8R-dihydrodiol, (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene, (-)-7R,8R-Dihydroxy-7,8-dihydrobenzo(a)pyrene
| Molecular Formula | C20H14O2 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.09937 |
| Heavy Atoms | 22 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 60864-95-1 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C[C@H]([C@@H]5O)O)C=C2 |
| InChIKey | YDXRLMMGARHIIC-YLJYHZDGSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene (CAS 60864-95-1), with molecular formula C20H14O2 and molecular weight 286.10 g/mol. IUPAC: (7R,8R)-7,8-dihydrobenzo[a]pyrene-7,8-diol.
Chemical Property Profile of (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene
Property Insights of (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene
The XLogP value of 3.9 indicates that (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene has 2 hydrogen bond donor(s) and 2 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 (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene?
The CAS number of (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene is 60864-95-1.
What is the molecular formula of (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene?
The molecular formula of (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene is C20H14O2.
What is the molecular weight of (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene?
The molecular weight of (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene is 286.10 g/mol.
Where can I buy (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene?
You can request a quote for (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene?
Yes, KEHONG BIO provides custom synthesis services for (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.