4-羟基香豆素
TL;DR: 4-羟基香豆素 (CAS 1076-38-6) is a chemical compound with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基香豆素
tert-butyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
Also Known As: BOC-D-TRYPTOPHANOL, BOC-TRYPTOPHANOL, CesiumFloride, Boc-D-Trp-ol, Boc-Trp-ol
| Molecular Formula | C16H22N2O3 |
|---|---|
| Molecular Weight | 290.16 g/mol |
| LogP | 2.596 |
| Topological Polar Surface Area | 74.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.16306 |
| Heavy Atoms | 21 |
| Complexity | 613.25476 |
Chemical Identifiers
| CAS Number | 1076-38-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)CO |
Product Overview
4-羟基香豆素 (CAS 1076-38-6), with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol. IUPAC: tert-butyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate.
Chemical Property Profile of 4-羟基香豆素
Property Insights of 4-羟基香豆素
The XLogP value of 2.596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基香豆素. The TPSA of 74.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-羟基香豆素. Following Lipinski's Rule of Five, 4-羟基香豆素 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 4-羟基香豆素?
The CAS number of 4-羟基香豆素 is 1076-38-6.
What is the molecular formula of 4-羟基香豆素?
The molecular formula of 4-羟基香豆素 is C16H22N2O3.
What is the molecular weight of 4-羟基香豆素?
The molecular weight of 4-羟基香豆素 is 290.16 g/mol.
Where can I buy 4-羟基香豆素?
You can request a quote for 4-羟基香豆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基香豆素?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基香豆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.