1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride
TL;DR: 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride (CAS 133550-87-5) is a chemical compound with molecular formula C21H28ClNO2 and molecular weight 361.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,3,6,7,8-hexahydropyren-4-ylmethylamino)-2-methylpropane-1,3-diol;hydrochloride
Also Known As: 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride, 2-(((1,2,3,6,7,8-Hexahydro-4-pyrenyl)methyl)amino)-2-methyl-1,3-propanediol hydrochloride, 2-(1,2,3,6,7,8-hexahydropyren-4-ylmethylamino)-2-methylpropane-1,3-diol hydrochloride, 2-(1,2,3,6,7,8-hexahydropyren-4-ylmethylamino)-2-methylpropane-1,3-diol;hydrochloride, ARG-SER-SER-CYS-PHE-GLY-GLY-ARG-ILE-ASP-ARG-ILE-GLY-ALA-CYS-NH2
| Molecular Formula | C21H28ClNO2 |
|---|---|
| Molecular Weight | 361.18 g/mol |
| LogP | 3.0719 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.18085 |
| Heavy Atoms | 25 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 133550-87-5 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=C2CCCC3=C2C4=C(CCCC4=C1)C=C3.Cl |
| InChIKey | SDKDIEQWWJOVPN-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride (CAS 133550-87-5), with molecular formula C21H28ClNO2 and molecular weight 361.18 g/mol. IUPAC: 2-(1,2,3,6,7,8-hexahydropyren-4-ylmethylamino)-2-methylpropane-1,3-diol;hydrochloride.
Chemical Property Profile of 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride
Property Insights of 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride
The XLogP value of 3.0719 indicates that 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride has 4 hydrogen bond donor(s) and 3 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 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride?
The CAS number of 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride is 133550-87-5.
What is the molecular formula of 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride?
The molecular formula of 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride is C21H28ClNO2.
What is the molecular weight of 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride?
The molecular weight of 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride is 361.18 g/mol.
Where can I buy 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride?
You can request a quote for 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(((1,2,3,6,7,8-hexahydro-4-pyrenyl)methyl)amino)-2-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.