trans-Benzo(a)pyrene-11,12-dihydrodiol
TL;DR: trans-Benzo(a)pyrene-11,12-dihydrodiol (CAS 60657-27-4) 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.
(11R,12R)-11,12-dihydrobenzo[a]pyrene-11,12-diol
Also Known As: trans-Benzo(a)pyrene-11,12-dihydrodiol, Benzo[a]pyrene-trans-11,12-dihydrodiol, (11R,12R)-11,12-dihydrobenzo[a]pyrene-11,12-diol, trans-11,12-Dihydro-11,12-dihydroxybenzo(a)pyrene, trans-11,12-Dihydroxy-11,12-dihydrobenzo(a)pyrene
| Molecular Formula | C20H14O2 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 3.7 |
| 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 | 435.0 |
Chemical Identifiers
| CAS Number | 60657-27-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2[C@H]([C@@H](C5=CC=C4)O)O |
| InChIKey | SGHZUKBSLLOHPU-WOJBJXKFSA-N |
Product Overview
trans-Benzo(a)pyrene-11,12-dihydrodiol (CAS 60657-27-4), with molecular formula C20H14O2 and molecular weight 286.10 g/mol. IUPAC: (11R,12R)-11,12-dihydrobenzo[a]pyrene-11,12-diol.
Chemical Property Profile of trans-Benzo(a)pyrene-11,12-dihydrodiol
Property Insights of trans-Benzo(a)pyrene-11,12-dihydrodiol
The XLogP value of 3.7 indicates that trans-Benzo(a)pyrene-11,12-dihydrodiol 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-Benzo(a)pyrene-11,12-dihydrodiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Benzo(a)pyrene-11,12-dihydrodiol 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-Benzo(a)pyrene-11,12-dihydrodiol?
The CAS number of trans-Benzo(a)pyrene-11,12-dihydrodiol is 60657-27-4.
What is the molecular formula of trans-Benzo(a)pyrene-11,12-dihydrodiol?
The molecular formula of trans-Benzo(a)pyrene-11,12-dihydrodiol is C20H14O2.
What is the molecular weight of trans-Benzo(a)pyrene-11,12-dihydrodiol?
The molecular weight of trans-Benzo(a)pyrene-11,12-dihydrodiol is 286.10 g/mol.
Where can I buy trans-Benzo(a)pyrene-11,12-dihydrodiol?
You can request a quote for trans-Benzo(a)pyrene-11,12-dihydrodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Benzo(a)pyrene-11,12-dihydrodiol?
Yes, KEHONG BIO provides custom synthesis services for trans-Benzo(a)pyrene-11,12-dihydrodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.