4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸)
TL;DR: 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸) (CAS 68828-51-3) is a chemical compound with molecular formula C27H20O8 and molecular weight 472.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸)
3-acetyloxy-4-[(2-acetyloxy-3-carboxynaphthalen-1-yl)methyl]naphthalene-2-carboxylic acid
Also Known As: 4,4'-Methylenebis(3-acetoxy-2-naphthoic acid), 2-NAPHTHOIC ACID, 4,4'-METHYLENEBIS(3-ACETOXY-, 2-10-00-00402 (Beilstein Handbook Reference), 4,4 -Methylenebis(3-acetoxy-2-naphthoic acid), 4,4'-Methylenebis[3-(acetyloxy)naphthalene-2-carboxylic acid]
| Molecular Formula | C27H20O8 |
|---|---|
| Molecular Weight | 472.12 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.1158 |
| Heavy Atoms | 35 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 68828-51-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=CC=CC=C2C=C1C(=O)O)CC3=C(C(=CC4=CC=CC=C43)C(=O)O)OC(=O)C |
| InChIKey | ROPGHLLGBQVDFM-UHFFFAOYSA-N |
Product Overview
4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸) (CAS 68828-51-3), with molecular formula C27H20O8 and molecular weight 472.12 g/mol. IUPAC: 3-acetyloxy-4-[(2-acetyloxy-3-carboxynaphthalen-1-yl)methyl]naphthalene-2-carboxylic acid.
Chemical Property Profile of 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸)
Property Insights of 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸)
The XLogP value of 4.9 indicates that 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸). Following Lipinski's Rule of Five, 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸) has 2 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 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸)?
The CAS number of 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸) is 68828-51-3.
What is the molecular formula of 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸)?
The molecular formula of 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸) is C27H20O8.
What is the molecular weight of 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸)?
The molecular weight of 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸) is 472.12 g/mol.
Where can I buy 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸)?
You can request a quote for 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-亚甲基双(3-乙酰氧基-2-萘甲酸) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.