5-(4-羧基-2-甲氧基苯氧基)香草酸
TL;DR: 5-(4-羧基-2-甲氧基苯氧基)香草酸 (CAS 2555-99-9) is a chemical compound with molecular formula C16H14O8 and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-羧基-2-甲氧基苯氧基)香草酸
3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxybenzoic acid
Also Known As: VANILLICACID,5- -, VANILLIC ACID, 5-(4-CARBOXY-2-METHOXYPHENOXY)-, 5-(4-Carboxy-2-methoxyphenoxy)vanillic acid, J1.553.110J, 3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxybenzoic acid
| Molecular Formula | C16H14O8 |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.06888 |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 2555-99-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)O)OC2=CC(=CC(=C2O)OC)C(=O)O |
| InChIKey | LFDSABYJTKMLLF-UHFFFAOYSA-N |
Product Overview
5-(4-羧基-2-甲氧基苯氧基)香草酸 (CAS 2555-99-9), with molecular formula C16H14O8 and molecular weight 334.07 g/mol. IUPAC: 3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxybenzoic acid.
Chemical Property Profile of 5-(4-羧基-2-甲氧基苯氧基)香草酸
Property Insights of 5-(4-羧基-2-甲氧基苯氧基)香草酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-羧基-2-甲氧基苯氧基)香草酸. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-羧基-2-甲氧基苯氧基)香草酸. Following Lipinski's Rule of Five, 5-(4-羧基-2-甲氧基苯氧基)香草酸 has 3 hydrogen bond donor(s) and 8 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-(4-羧基-2-甲氧基苯氧基)香草酸?
The CAS number of 5-(4-羧基-2-甲氧基苯氧基)香草酸 is 2555-99-9.
What is the molecular formula of 5-(4-羧基-2-甲氧基苯氧基)香草酸?
The molecular formula of 5-(4-羧基-2-甲氧基苯氧基)香草酸 is C16H14O8.
What is the molecular weight of 5-(4-羧基-2-甲氧基苯氧基)香草酸?
The molecular weight of 5-(4-羧基-2-甲氧基苯氧基)香草酸 is 334.07 g/mol.
Where can I buy 5-(4-羧基-2-甲氧基苯氧基)香草酸?
You can request a quote for 5-(4-羧基-2-甲氧基苯氧基)香草酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-羧基-2-甲氧基苯氧基)香草酸?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-羧基-2-甲氧基苯氧基)香草酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.