![3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione structure](/static/products/507/507446-88-0.png)
3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione
TL;DR: 3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione (CAS 507446-88-0) is a chemical compound with molecular formula C13H18N2OS and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(pentylamino)methyl]-1,3-benzoxazole-2-thione
Also Known As: 3-[(pentylamino)methyl]-1,3-benzoxazole-2-thione, 3-[(pentylamino)methyl]-1,3-benzoxazole-2(3H)-thione
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 3.70109 |
| Topological Polar Surface Area | 30.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 529.44415 |
Chemical Identifiers
| CAS Number | 507446-88-0 |
|---|---|
| SMILES | CCCCCNCN1C2=CC=CC=C2OC1=S |
Product Overview
3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione (CAS 507446-88-0), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: 3-[(pentylamino)methyl]-1,3-benzoxazole-2-thione.
Chemical Property Profile of 3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione
Property Insights of 3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione
The XLogP value of 3.70109 indicates that 3-[(Pentylamino)methyl]-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 30.1 Ų, 3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione has 1 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-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione?
The CAS number of 3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione is 507446-88-0.
What is the molecular formula of 3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione?
The molecular formula of 3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione is C13H18N2OS.
What is the molecular weight of 3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione?
The molecular weight of 3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione is 250.11 g/mol.
Where can I buy 3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione?
You can request a quote for 3-[(Pentylamino)methyl]-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-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Pentylamino)methyl]-1,3-benzoxazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.