![(9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol structure](/static/products/6144/61441-24-5.webp)
(9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol
TL;DR: (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol (CAS 61441-24-5) is a chemical compound with molecular formula C20H16O2 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol
Also Known As: 2-Iodo-3-ureidopropionic acid, (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol, trans-7,8,9,10-tetrahydro-benzo[a]pyrene-9,10-diol, trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-9,10-diol, Benzo(a)pyrene-9,10-diol, 7,8,9,10-tetrahydro-, trans-
| Molecular Formula | C20H16O2 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.11502 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 61441-24-5 |
|---|---|
| SMILES | C1CC2=C([C@@H]([C@H]1O)O)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3 |
| InChIKey | HWHYAMCEKZOBEK-OXJNMPFZSA-N |
Product Overview
(9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol (CAS 61441-24-5), with molecular formula C20H16O2 and molecular weight 288.12 g/mol. IUPAC: (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol.
Chemical Property Profile of (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol
Property Insights of (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol
The XLogP value of 4.0 indicates that (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol 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 (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol?
The CAS number of (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol is 61441-24-5.
What is the molecular formula of (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol?
The molecular formula of (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol is C20H16O2.
What is the molecular weight of (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol?
The molecular weight of (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol is 288.12 g/mol.
Where can I buy (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol?
You can request a quote for (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol?
Yes, KEHONG BIO provides custom synthesis services for (9S,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-9,10-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.