Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-
TL;DR: Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- (CAS 66093-76-3) is a chemical compound with molecular formula C22H18 and molecular weight 282.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12bS,12cS)-12b,12c-dimethylbenzo[a]pyrene
Also Known As: 12b,12c-Dihydro-12b,12c-dimethylbenzo(a)pyrene trans-, (12bS,12cS)-12b,12c-dimethylbenzo[a]pyrene, Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-, 12b,12c-Dimethyl-12b,12c-dihydrobenzo[pqr]tetraphene, 12bbeta,12calpha-Dimethyl-12b,12c-dihydrobenzo[a]pyrene
| Molecular Formula | C22H18 |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.14084 |
| Heavy Atoms | 22 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 66093-76-3 |
|---|---|
| SMILES | C[C@]12C3=CC=C4[C@@]1(C(=CC5=CC=CC=C54)C=CC2=CC=C3)C |
| InChIKey | KJVCHJCISWBOIL-VXKWHMMOSA-N |
Product Overview
Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- (CAS 66093-76-3), with molecular formula C22H18 and molecular weight 282.14 g/mol. IUPAC: (12bS,12cS)-12b,12c-dimethylbenzo[a]pyrene.
Chemical Property Profile of Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-
Property Insights of Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-
The XLogP value of 6.2 indicates that Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-?
The CAS number of Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- is 66093-76-3.
What is the molecular formula of Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-?
The molecular formula of Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- is C22H18.
What is the molecular weight of Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-?
The molecular weight of Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- is 282.14 g/mol.
Where can I buy Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-?
You can request a quote for Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.