Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride
TL;DR: Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride (CAS 90940-40-2) is a chemical compound with molecular formula C27H28ClN and molecular weight 401.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b]pyren-6-ylmethyl(triethyl)azanium chloride
Also Known As: benzo[b]pyren-6-ylmethyl(triethyl)azanium chloride, Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride, n-(benzo[pqr]tetraphen-6-ylmethyl)-n,n-diethylethanaminium chloride, N-[(Benzo[pqr]tetraphen-6-yl)methyl]-N,N-diethylethanaminium chloride
| Molecular Formula | C27H28ClN |
|---|---|
| Molecular Weight | 401.19 g/mol |
| LogP | 4.1177 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.19104 |
| Heavy Atoms | 29 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 90940-40-2 |
|---|---|
| SMILES | CC[N+](CC)(CC)CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51.[Cl-] |
| InChIKey | CMXABWKPPMVEDB-UHFFFAOYSA-M |
Product Overview
Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride (CAS 90940-40-2), with molecular formula C27H28ClN and molecular weight 401.19 g/mol. IUPAC: benzo[b]pyren-6-ylmethyl(triethyl)azanium chloride.
Chemical Property Profile of Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride
Property Insights of Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride
The XLogP value of 4.1177 indicates that Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride has 0 hydrogen bond donor(s) and 1 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-6-methanaminium, N,N,N-triethyl-, chloride?
The CAS number of Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride is 90940-40-2.
What is the molecular formula of Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride?
The molecular formula of Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride is C27H28ClN.
What is the molecular weight of Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride?
The molecular weight of Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride is 401.19 g/mol.
Where can I buy Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride?
You can request a quote for Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride 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-methanaminium, N,N,N-triethyl-, chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.