anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide
TL;DR: anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide (CAS 132832-26-9) is a chemical compound with molecular formula C22H12O3 and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxahexacyclo[13.8.0.02,4.05,14.06,11.018,23]tricosa-1,4,6(11),7,9,12,14,16,18,20,22-undecaene-7,8-diol
Also Known As: anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide, piceno[13,14-b]oxirene-1,2-diol, ANTI-BENZO[A]CHRYSENE-11,12-DIOL-13,14-EPOXIDE, anti-r-11,t-12-Dihydroxy-t-13,14-oxy-11,12,13,14-tetrahydrobenzo(g)chrysene
| Molecular Formula | C22H12O3 |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 324.07864 |
| Heavy Atoms | 25 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 132832-26-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C4C=CC5=C(C4=C6C(=C32)O6)C(=C(C=C5)O)O |
| InChIKey | XIXGYVQCBZVGAV-UHFFFAOYSA-N |
Product Overview
anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide (CAS 132832-26-9), with molecular formula C22H12O3 and molecular weight 324.08 g/mol. IUPAC: 3-oxahexacyclo[13.8.0.02,4.05,14.06,11.018,23]tricosa-1,4,6(11),7,9,12,14,16,18,20,22-undecaene-7,8-diol.
Chemical Property Profile of anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide
Property Insights of anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide
The XLogP value of 3.1 indicates that anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide 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 anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide?
The CAS number of anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide is 132832-26-9.
What is the molecular formula of anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide?
The molecular formula of anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide is C22H12O3.
What is the molecular weight of anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide?
The molecular weight of anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide is 324.08 g/mol.
Where can I buy anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide?
You can request a quote for anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide?
Yes, KEHONG BIO provides custom synthesis services for anti-Benzo(a)chrysene-11,12-diol-13,14-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.