![5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one structure](/static/products/883/883279-86-5.png)
5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one
TL;DR: 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one (CAS 883279-86-5) is a chemical compound with molecular formula C16H14ClNO4 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-one
Also Known As: 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one, F3223-0059, VU0515793-1, 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-one, 5-chloro-3-(3,4-dimethoxybenzyl)-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C16H14ClNO4 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 3.3134 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.06113 |
| Heavy Atoms | 22 |
| Complexity | 881.47345 |
Chemical Identifiers
| CAS Number | 883279-86-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)Cl)OC2=O)OC |
Product Overview
5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one (CAS 883279-86-5), with molecular formula C16H14ClNO4 and molecular weight 319.06 g/mol. IUPAC: 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one
Property Insights of 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one
The XLogP value of 3.3134 indicates that 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one has 0 hydrogen bond donor(s) and 4 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 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one?
The CAS number of 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one is 883279-86-5.
What is the molecular formula of 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one?
The molecular formula of 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one is C16H14ClNO4.
What is the molecular weight of 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one?
The molecular weight of 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one is 319.06 g/mol.
Where can I buy 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one?
You can request a quote for 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-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 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-3-(3,4-dimethoxybenzyl)benzo[d]oxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.