5-(吡啶-3-基甲基)-1-苯并呋喃-2-甲酸盐
TL;DR: 5-(吡啶-3-基甲基)-1-苯并呋喃-2-甲酸盐 (CAS 154229-19-3) is a chemical compound with molecular formula C15H10NO3- and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(吡啶-3-基甲基)-1-苯并呋喃-2-甲酸盐
5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate
Also Known As: Abiraterone, FUREGRELATE SODIUM, 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate, 5-(pyridin-3-ylmethyl)benzofuran-2-carboxylate, (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
| Molecular Formula | C15H10NO3- |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.06607 |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 154229-19-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)[O-] |
| InChIKey | VHWFITPGPFLBGT-UHFFFAOYSA-M |
Product Overview
5-(吡啶-3-基甲基)-1-苯并呋喃-2-甲酸盐 (CAS 154229-19-3), with molecular formula C15H10NO3- and molecular weight 252.07 g/mol. IUPAC: 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate.
Chemical Property Profile of 5-(吡啶-3-基甲基)-1-苯并呋喃-2-甲酸盐
Property Insights of 5-(吡啶-3-基甲基)-1-苯并呋喃-2-甲酸盐
The XLogP value of 3.7 indicates that 阿比特龙 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(吡啶-3-基甲基)-1-苯并呋喃-2-甲酸盐. Following Lipinski's Rule of Five, 阿比特龙 has 0 hydrogen bond donor(s) and 4 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 阿比特龙?
The CAS number of 阿比特龙 is 154229-19-3.
What is the molecular formula of 阿比特龙?
The molecular formula of 阿比特龙 is C15H10NO3-.
What is the molecular weight of 阿比特龙?
The molecular weight of 阿比特龙 is 252.07 g/mol.
Where can I buy 阿比特龙?
You can request a quote for 阿比特龙 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿比特龙?
Yes, KEHONG BIO provides custom synthesis services for 阿比特龙 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.