Benzo(a)pyrene-6-methanol-13C
TL;DR: Benzo(a)pyrene-6-methanol-13C (CAS 62084-24-6) is a chemical compound with molecular formula C21H14O and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b]pyren-6-ylmethanol
Also Known As: benzo[b]pyren-6-ylmethanol, Benzo(a)pyrene-6-methanol-13C, 6-Hydroxymethylbenzo(a)pyrene, 6-(Hydroxymethyl-13C)benzo(a)pyrene, [(10a-~13~C)Benzo[pqr]tetraphen-6-yl]methanol
| Molecular Formula | C21H14O |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.10782 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 62084-24-6 |
|---|---|
| SMILES | C1=CC=[13C]2C3=C4C(=C(C2=C1)CO)C=CC5=CC=CC(=C54)C=C3 |
| InChIKey | FJQLVOHCPDYIFE-XPOOIHDOSA-N |
Product Overview
Benzo(a)pyrene-6-methanol-13C (CAS 62084-24-6), with molecular formula C21H14O and molecular weight 283.11 g/mol. IUPAC: benzo[b]pyren-6-ylmethanol.
Chemical Property Profile of Benzo(a)pyrene-6-methanol-13C
Property Insights of Benzo(a)pyrene-6-methanol-13C
The XLogP value of 5.4 indicates that Benzo(a)pyrene-6-methanol-13C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Benzo(a)pyrene-6-methanol-13C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-6-methanol-13C has 1 hydrogen bond donor(s) and 1 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-6-methanol-13C?
The CAS number of Benzo(a)pyrene-6-methanol-13C is 62084-24-6.
What is the molecular formula of Benzo(a)pyrene-6-methanol-13C?
The molecular formula of Benzo(a)pyrene-6-methanol-13C is C21H14O.
What is the molecular weight of Benzo(a)pyrene-6-methanol-13C?
The molecular weight of Benzo(a)pyrene-6-methanol-13C is 283.11 g/mol.
Where can I buy Benzo(a)pyrene-6-methanol-13C?
You can request a quote for Benzo(a)pyrene-6-methanol-13C 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-6-methanol-13C?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-6-methanol-13C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.