Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis-
TL;DR: Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis- (CAS 94850-10-9) is a chemical compound with molecular formula C21H16O2 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S)-7-methyl-4,5-dihydrobenzo[a]pyrene-4,5-diol
Also Known As: Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis-, 7-Methyl-4,5-dihydrobenzo[pqr]tetraphene-4,5-diol, Benzo(a)pyrene-4,5-diol, 7-methyl-4,5-dihydro-, Cis-, (4r,5s)-7-methyl-4,5-dihydrobenzo[pqr]tetraphene-4,5-diol, (4R,5S)-7-methyl-4,5-dihydrobenzo[a]pyrene-4,5-diol
| Molecular Formula | C21H16O2 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 300.11502 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 94850-10-9 |
|---|---|
| SMILES | CC1=C2C=C3[C@@H]([C@@H](C4=CC=CC5=C4C3=C(C2=CC=C1)C=C5)O)O |
| InChIKey | NITSBVABFXWELN-RTWAWAEBSA-N |
Product Overview
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis- (CAS 94850-10-9), with molecular formula C21H16O2 and molecular weight 300.12 g/mol. IUPAC: (4R,5S)-7-methyl-4,5-dihydrobenzo[a]pyrene-4,5-diol.
Chemical Property Profile of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis-
Property Insights of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis-
The XLogP value of 4.1 indicates that Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis- 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 Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis-?
The CAS number of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis- is 94850-10-9.
What is the molecular formula of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis-?
The molecular formula of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis- is C21H16O2.
What is the molecular weight of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis-?
The molecular weight of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis- is 300.12 g/mol.
Where can I buy Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis-?
You can request a quote for Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis- 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-4,5-diol, 4,5-dihydro-7-methyl-, cis-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.