RefChem:161869
TL;DR: RefChem:161869 (CAS 136622-03-2) is a chemical compound with molecular formula C21H33ClN6O2S and molecular weight 468.20743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-methyltetrazol-5-yl)sulfanyl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide;hydrochloride
Also Known As: 33PB, 4-(1-methyltetrazol-5-yl)sulfanyl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide, N-(3-(3-(Piperidinomethyl)phenoxy)propyl)-4-(1-methyl-1H-tetrazol-5-ylthio)butanamide, 4-(1-methyltetrazol-5-yl)sulfanyl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide;hydrochloride, 4-(1-methyltetrazol-5-yl)sulfanyl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide hydrochloride
Technical Specifications
| Molecular Formula | C21H33ClN6O2S |
| Molecular Weight | 468.20743 g/mol |
| XLogP | 3.0754 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 468.20743 Da |
| Heavy Atoms | 31 |
| Complexity | 494.0 |
| SMILES | CN1C(=NN=N1)SCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3.Cl |
| InChIKey | AAZNWNGSOHNYRP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:161869
Property Insights of RefChem:161869
The XLogP value of 3.0754 indicates that RefChem:161869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:161869. Following Lipinski's Rule of Five, RefChem:161869 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:161869?
The CAS number of RefChem:161869 is 136622-03-2.
What is the molecular formula of RefChem:161869?
The molecular formula of RefChem:161869 is C21H33ClN6O2S.
What is the molecular weight of RefChem:161869?
The molecular weight of RefChem:161869 is 468.20743 g/mol.
Where can I buy RefChem:161869?
You can request a quote for RefChem:161869 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:161869?
Yes, CoreyChem provides custom synthesis services for RefChem:161869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.