3-氯-2-甲氧基-5-硝基苯甲酸
TL;DR: 3-氯-2-甲氧基-5-硝基苯甲酸 (CAS 482311-15-9) is a chemical compound with molecular formula C8H6ClNO5 and molecular weight 230.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯-2-甲氧基-5-硝基苯甲酸
3-chloro-2-methoxy-5-nitrobenzoic acid
Also Known As: 3-chloro-2-methoxy-5-nitrobenzoic acid, 3-chloro-2-methoxy-5-nitrobenzoicacid
| Molecular Formula | C8H6ClNO5 |
|---|---|
| Molecular Weight | 230.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.99345 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 482311-15-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Cl)[N+](=O)[O-])C(=O)O |
| InChIKey | FZEVTPCZAKESII-UHFFFAOYSA-N |
Product Overview
3-氯-2-甲氧基-5-硝基苯甲酸 (CAS 482311-15-9), with molecular formula C8H6ClNO5 and molecular weight 230.99 g/mol. IUPAC: 3-chloro-2-methoxy-5-nitrobenzoic acid.
Chemical Property Profile of 3-氯-2-甲氧基-5-硝基苯甲酸
Property Insights of 3-氯-2-甲氧基-5-硝基苯甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-2-甲氧基-5-硝基苯甲酸. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氯-2-甲氧基-5-硝基苯甲酸. Following Lipinski's Rule of Five, 3-氯-2-甲氧基-5-硝基苯甲酸 has 1 hydrogen bond donor(s) and 5 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-氯-2-甲氧基-5-硝基苯甲酸?
The CAS number of 3-氯-2-甲氧基-5-硝基苯甲酸 is 482311-15-9.
What is the molecular formula of 3-氯-2-甲氧基-5-硝基苯甲酸?
The molecular formula of 3-氯-2-甲氧基-5-硝基苯甲酸 is C8H6ClNO5.
What is the molecular weight of 3-氯-2-甲氧基-5-硝基苯甲酸?
The molecular weight of 3-氯-2-甲氧基-5-硝基苯甲酸 is 230.99 g/mol.
Where can I buy 3-氯-2-甲氧基-5-硝基苯甲酸?
You can request a quote for 3-氯-2-甲氧基-5-硝基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯-2-甲氧基-5-硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-2-甲氧基-5-硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.