1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)
TL;DR: 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt) (CAS 104525-00-0) is a chemical compound with molecular formula C26H27NO5S and molecular weight 465.16098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzo[b]pyren-6-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
Also Known As: 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt), 2-((Benzo(a)pyren-6-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (salt), 2-((Benzo(a)pyren-6-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate, 2-(benzo[b]pyren-6-ylmethylamino)-2-methylpropane-1,3-diol; methanesulfonic acid, Methanesulfonic acid--2-{[(benzo[pqr]tetraphen-6-yl)methyl]amino}-2-methylpropane-1,3-diol (1/1)
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H27NO5S |
| Molecular Weight | 465.16098 g/mol |
| XLogP | 4.0741 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.16098 Da |
| Heavy Atoms | 33 |
| Complexity | 639.0 |
| SMILES | CC(CO)(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51.CS(=O)(=O)O |
| InChIKey | IUWZVCZOVABJCB-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)
Property Insights of 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)
The XLogP value of 4.0741 indicates that 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt). Following Lipinski's Rule of Five, 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)?
The CAS number of 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt) is 104525-00-0.
What is the molecular formula of 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)?
The molecular formula of 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt) is C26H27NO5S.
What is the molecular weight of 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)?
The molecular weight of 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt) is 465.16098 g/mol.
Where can I buy 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)?
You can request a quote for 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.