![(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](/static/products/6026/60262-85-3.webp)
(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
TL;DR: (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 60262-85-3) is a chemical compound with molecular formula C26H20O7 and molecular weight 444.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Benzo(a)pyrene-6-glucuronide, Benzo(a)pyrenyl-6-glucuronide, BENZO[A]PYRENE-6-GLUCURONIDE, Benzo[pqr]tetraphen-6-yl hexopyranosiduronic acid, Benzo[pqr]tetraphen-6-yl D-glucopyranosiduronic acid
| Molecular Formula | C26H20O7 |
|---|---|
| Molecular Weight | 444.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.1209 |
| Heavy Atoms | 33 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 60262-85-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C=CC6=CC=CC(=C64)C=C3 |
| InChIKey | KFMNIRXSVPJVJN-QKBZUBFZSA-N |
Product Overview
(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 60262-85-3), with molecular formula C26H20O7 and molecular weight 444.12 g/mol. IUPAC: (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Property Insights of (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
The XLogP value of 4.4 indicates that (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid. Following Lipinski's Rule of Five, (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid has 4 hydrogen bond donor(s) and 7 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 (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The CAS number of (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid is 60262-85-3.
What is the molecular formula of (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The molecular formula of (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid is C26H20O7.
What is the molecular weight of (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The molecular weight of (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid is 444.12 g/mol.
Where can I buy (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
You can request a quote for (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.