3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione
TL;DR: 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione (CAS 16446-14-3) is a chemical compound with molecular formula C12H14N2OS and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione
Also Known As: 3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione, 3-pyrrolidin-1-ylmethyl-3H-benzooxazole-2-thione, 3-(1-pyrrolidinylmethyl)-1,3-benzoxazole-2(3H)-thione
| Molecular Formula | C12H14N2OS |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 3.01709 |
| Topological Polar Surface Area | 21.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.08269 |
| Heavy Atoms | 16 |
| Complexity | 551.3893 |
Chemical Identifiers
| CAS Number | 16446-14-3 |
|---|---|
| SMILES | C1CCN(C1)CN2C3=CC=CC=C3OC2=S |
Product Overview
3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione (CAS 16446-14-3), with molecular formula C12H14N2OS and molecular weight 234.08 g/mol. IUPAC: 3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione.
Chemical Property Profile of 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione
Property Insights of 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione
The XLogP value of 3.01709 indicates that 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.31 Ų, 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione has 0 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 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione?
The CAS number of 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione is 16446-14-3.
What is the molecular formula of 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione?
The molecular formula of 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione is C12H14N2OS.
What is the molecular weight of 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione?
The molecular weight of 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione is 234.08 g/mol.
Where can I buy 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione?
You can request a quote for 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyrrolidin-1-ylmethyl)-1,3-benzoxazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.