3,6-二氯-2-甲氧基苯乙酸
TL;DR: 3,6-二氯-2-甲氧基苯乙酸 (CAS 3004-74-8) is a chemical compound with molecular formula C9H8Cl2O3 and molecular weight 233.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-二氯-2-甲氧基苯乙酸
2-(3,6-dichloro-2-methoxyphenyl)acetic acid
Also Known As: 3,6-Dichloro-2-methoxybenzeneacetic acid, 2-(3,6-dichloro-2-methoxyphenyl)acetic acid, Benzeneacetic acid, 3,6-dichloro-2-methoxy-, 2-Methoxy-3,6-dichlor-phenylessigsaure, 3,6-DICHLORO-2-METHOXYPHENYLACETIC ACID
| Molecular Formula | C9H8Cl2O3 |
|---|---|
| Molecular Weight | 233.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.98505 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 3004-74-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1CC(=O)O)Cl)Cl |
| InChIKey | ZXWITGPTJLSCTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-二氯-2-甲氧基苯乙酸 (CAS 3004-74-8), with molecular formula C9H8Cl2O3 and molecular weight 233.99 g/mol. IUPAC: 2-(3,6-dichloro-2-methoxyphenyl)acetic acid.
Chemical Property Profile of 3,6-二氯-2-甲氧基苯乙酸
Property Insights of 3,6-二氯-2-甲氧基苯乙酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-二氯-2-甲氧基苯乙酸. With a topological polar surface area (TPSA) of 46.5 Ų, 3,6-二氯-2-甲氧基苯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-二氯-2-甲氧基苯乙酸 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 3,6-二氯-2-甲氧基苯乙酸?
The CAS number of 3,6-二氯-2-甲氧基苯乙酸 is 3004-74-8.
What is the molecular formula of 3,6-二氯-2-甲氧基苯乙酸?
The molecular formula of 3,6-二氯-2-甲氧基苯乙酸 is C9H8Cl2O3.
What is the molecular weight of 3,6-二氯-2-甲氧基苯乙酸?
The molecular weight of 3,6-二氯-2-甲氧基苯乙酸 is 233.99 g/mol.
Where can I buy 3,6-二氯-2-甲氧基苯乙酸?
You can request a quote for 3,6-二氯-2-甲氧基苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-二氯-2-甲氧基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 3,6-二氯-2-甲氧基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.