![萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸 structure](/static/products/1112/111258-00-5.webp)
萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸
TL;DR: 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸 (CAS 111258-00-5) is a chemical compound with molecular formula C16H8O6 and molecular weight 296.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸
[1]benzofuro[6,5-e][1]benzofuran-2,8-dicarboxylic acid
Also Known As: CPA 1 hydrate, 111258-00-5 (anhydrous), naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid, NSC 623721 hydrate, Naphtho[2,1-b:7,6-b]difuran-2,8-dicarboxylic acid hydrate, 01I
| Molecular Formula | C16H8O6 |
|---|---|
| Molecular Weight | 296.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.03207 |
| Heavy Atoms | 22 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 111258-00-5 |
|---|---|
| SMILES | C1=CC2=C(C=C(O2)C(=O)O)C3=CC4=C(C=C31)C=C(O4)C(=O)O |
| InChIKey | IPFSIVVOJSEJOL-UHFFFAOYSA-N |
Product Overview
萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸 (CAS 111258-00-5), with molecular formula C16H8O6 and molecular weight 296.03 g/mol. IUPAC: [1]benzofuro[6,5-e][1]benzofuran-2,8-dicarboxylic acid.
Chemical Property Profile of 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸
Property Insights of 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸
The XLogP value of 3.7 indicates that 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸. Following Lipinski's Rule of Five, 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸 has 2 hydrogen bond donor(s) and 6 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 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸?
The CAS number of 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸 is 111258-00-5.
What is the molecular formula of 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸?
The molecular formula of 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸 is C16H8O6.
What is the molecular weight of 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸?
The molecular weight of 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸 is 296.03 g/mol.
Where can I buy 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸?
You can request a quote for 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 萘并[2,1-b:7,6-b']二呋喃-2,8-二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.