3-Tert-butylamino-1,2-propanediol
TL;DR: 3-Tert-butylamino-1,2-propanediol (CAS 22741-52-2) is a chemical compound with molecular formula C7H17NO2 and molecular weight 147.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(tert-butylamino)propane-1,2-diol
Also Known As: Sucrose benzoate, 3-(tert-Butylamino)propane-1,2-diol, 3-BAP cpd, 3- propane-1,2-diol, 3-tert-butylamino-1,2-propanediol
| Molecular Formula | C7H17NO2 |
|---|---|
| Molecular Weight | 147.13 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 147.12593 |
| Heavy Atoms | 10 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 22741-52-2 |
|---|---|
| SMILES | CC(C)(C)NCC(CO)O |
| InChIKey | JWBMVCAZXJMSOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Tert-butylamino-1,2-propanediol (CAS 22741-52-2), with molecular formula C7H17NO2 and molecular weight 147.13 g/mol. IUPAC: 3-(tert-butylamino)propane-1,2-diol.
Chemical Property Profile of 3-Tert-butylamino-1,2-propanediol
Property Insights of 3-Tert-butylamino-1,2-propanediol
The XLogP value of -0.5 indicates that 3-Tert-butylamino-1,2-propanediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.5 Ų, 3-Tert-butylamino-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butylamino-1,2-propanediol has 3 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-Tert-butylamino-1,2-propanediol?
The CAS number of 3-Tert-butylamino-1,2-propanediol is 22741-52-2.
What is the molecular formula of 3-Tert-butylamino-1,2-propanediol?
The molecular formula of 3-Tert-butylamino-1,2-propanediol is C7H17NO2.
What is the molecular weight of 3-Tert-butylamino-1,2-propanediol?
The molecular weight of 3-Tert-butylamino-1,2-propanediol is 147.13 g/mol.
Where can I buy 3-Tert-butylamino-1,2-propanediol?
You can request a quote for 3-Tert-butylamino-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butylamino-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butylamino-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.