烟堇酸
TL;DR: 烟堇酸 (CAS 110-17-8) is a chemical compound with molecular formula C30H41NO7 and molecular weight 527.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟堇酸
(E)-but-2-enedioic acid;[2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate
Also Known As: Fesoterodine fumarate, Toviaz, (R)-Fesoterodine fumarate, Fesoterodine, Fesoterodine maleate
| Molecular Formula | C30H41NO7 |
|---|---|
| Molecular Weight | 527.29 g/mol |
| LogP | 5.0929 |
| Topological Polar Surface Area | 124.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 527.2883 |
| Heavy Atoms | 38 |
| Complexity | 1037.526 |
Chemical Identifiers
| CAS Number | 110-17-8 |
|---|---|
| SMILES | CC(C)C(=O)OC1=C(C=C(C=C1)CO)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
烟堇酸 (CAS 110-17-8), with molecular formula C30H41NO7 and molecular weight 527.29 g/mol. IUPAC: (E)-but-2-enedioic acid;[2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate.
Chemical Property Profile of 烟堇酸
Property Insights of 烟堇酸
The XLogP value of 5.0929 indicates that 烟堇酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 烟堇酸. Following Lipinski's Rule of Five, 烟堇酸 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 烟堇酸?
The CAS number of 烟堇酸 is 110-17-8.
What is the molecular formula of 烟堇酸?
The molecular formula of 烟堇酸 is C30H41NO7.
What is the molecular weight of 烟堇酸?
The molecular weight of 烟堇酸 is 527.29 g/mol.
Where can I buy 烟堇酸?
You can request a quote for 烟堇酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟堇酸?
Yes, KEHONG BIO provides custom synthesis services for 烟堇酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.