Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis-
TL;DR: Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis- (CAS 94850-08-5) is a chemical compound with molecular formula C20H18O2 and molecular weight 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S)-4,5,7,8,9,10-hexahydrobenzo[a]pyrene-4,5-diol
Also Known As: Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis-, (4r,5s)-4,5,7,8,9,10-hexahydrobenzo[pqr]tetraphene-4,5-diol, (4R,5S)-4,5,7,8,9,10-hexahydrobenzo[a]pyrene-4,5-diol
| Molecular Formula | C20H18O2 |
|---|---|
| Molecular Weight | 290.13 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 | 290.13068 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 94850-08-5 |
|---|---|
| SMILES | C1CCC2=C3C=CC4=C5C3=C(C=C2C1)[C@@H]([C@@H](C5=CC=C4)O)O |
| InChIKey | ONEPVGAZODBCBF-UXHICEINSA-N |
Product Overview
Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis- (CAS 94850-08-5), with molecular formula C20H18O2 and molecular weight 290.13 g/mol. IUPAC: (4R,5S)-4,5,7,8,9,10-hexahydrobenzo[a]pyrene-4,5-diol.
Chemical Property Profile of Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis-
Property Insights of Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis-
The XLogP value of 3.9 indicates that Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, 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, 4,5,7,8,9,10-hexahydro-, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, 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, 4,5,7,8,9,10-hexahydro-, cis-?
The CAS number of Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis- is 94850-08-5.
What is the molecular formula of Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis-?
The molecular formula of Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis- is C20H18O2.
What is the molecular weight of Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis-?
The molecular weight of Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis- is 290.13 g/mol.
Where can I buy Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis-?
You can request a quote for Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, 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, 4,5,7,8,9,10-hexahydro-, cis-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-4,5-diol, 4,5,7,8,9,10-hexahydro-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.