tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate
TL;DR: tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate (CAS 784105-33-5) is a chemical compound with molecular formula C9H19NO5 and molecular weight 221.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamate
Also Known As: N-Boc-Tris, tert-Butyl N-[2-hydroxy-1,1-bis(hydroxymethyl)-ethyl]carbamate, N-Boc-tris(hydroxymethyl)aminomethane, tert-Butyl N-tris(hydroxymethyl)methylcarbamate, tert-butyl N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamate
| Molecular Formula | C9H19NO5 |
|---|---|
| Molecular Weight | 221.13 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.12633 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 784105-33-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CO)(CO)CO |
| InChIKey | PYFXOUCQTPUBOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate (CAS 784105-33-5), with molecular formula C9H19NO5 and molecular weight 221.13 g/mol. IUPAC: tert-butyl N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamate.
Chemical Property Profile of tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate
Property Insights of tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate
The XLogP value of -1.2 indicates that tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate. Following Lipinski's Rule of Five, tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate has 4 hydrogen bond donor(s) and 5 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 tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate?
The CAS number of tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate is 784105-33-5.
What is the molecular formula of tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate?
The molecular formula of tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate is C9H19NO5.
What is the molecular weight of tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate?
The molecular weight of tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate is 221.13 g/mol.
Where can I buy tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate?
You can request a quote for tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.