![2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone structure](/static/products/881/881591-59-9.png)
2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
TL;DR: 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone (CAS 881591-59-9) is a chemical compound with molecular formula C18H15Cl2NO4S and molecular weight 411.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
Also Known As: 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone, A4077/0173737, 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone, 2-[(5,7-DICHLORO-6-METHYL-1,3-BENZOXAZOL-2-YL)SULFANYL]-1-(3,4-DIMETHOXYPHENYL)ETHAN-1-ONE
| Molecular Formula | C18H15Cl2NO4S |
|---|---|
| Molecular Weight | 411.01 g/mol |
| LogP | 5.43522 |
| Topological Polar Surface Area | 61.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.0099 |
| Heavy Atoms | 26 |
| Complexity | 986.9718 |
Chemical Identifiers
| CAS Number | 881591-59-9 |
|---|---|
| SMILES | CC1=C(C=C2C(=C1Cl)OC(=N2)SCC(=O)C3=CC(=C(C=C3)OC)OC)Cl |
Product Overview
2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone (CAS 881591-59-9), with molecular formula C18H15Cl2NO4S and molecular weight 411.01 g/mol. IUPAC: 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone.
Chemical Property Profile of 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
Property Insights of 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
The XLogP value of 5.43522 indicates that 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone?
The CAS number of 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone is 881591-59-9.
What is the molecular formula of 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone?
The molecular formula of 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone is C18H15Cl2NO4S.
What is the molecular weight of 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone?
The molecular weight of 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone is 411.01 g/mol.
Where can I buy 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone?
You can request a quote for 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.