3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one
TL;DR: 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one (CAS 17832-99-4) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)-1,3-benzoxazol-2-one
Also Known As: ChemDiv2_000300, 3-hydroxymethylbenzoxazolin-2-one, 3-(Hydroxymethyl)-2-benzoxazolinone, 3-(hydroxymethyl)-1,3-benzoxazol-2-one, BAS 00281028
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 17832-99-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)O2)CO |
| InChIKey | FOHRCMUANUUOIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one (CAS 17832-99-4), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 3-(hydroxymethyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one
Property Insights of 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one. With a topological polar surface area (TPSA) of 49.8 Ų, 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one 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-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one is 17832-99-4.
What is the molecular formula of 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one is C8H7NO3.
What is the molecular weight of 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one is 165.04 g/mol.
Where can I buy 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hydroxymethyl)-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.