C26H29NO4.ClH.1/2H2O
TL;DR: C26H29NO4.ClH.1/2H2O (CAS 86433-59-2) is a chemical compound with molecular formula C26H30ClNO4 and molecular weight 455.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-piperidin-1-ylbutan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
Also Known As: C26H29NO4.ClH.1/2H2O, C26-H29-N-O4.Cl-H.1/2H2-O, 1-Methyl-3-(N-piperidino)propyl 3-methylflavone-8-carboxylate hydrochloride hemihydrate, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 1-methyl-3-(1-piperidinyl)propyl ester, hydrochloride, hemihydrate, 4-(1-Piperidinyl)-2-butanyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride
| Molecular Formula | C26H30ClNO4 |
|---|---|
| Molecular Weight | 455.19 g/mol |
| LogP | 5.61152 |
| Topological Polar Surface Area | 59.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.18634 |
| Heavy Atoms | 32 |
| Complexity | 1119.8702 |
Chemical Identifiers
| CAS Number | 86433-59-2 |
|---|---|
| SMILES | CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC(C)CCN3CCCCC3)C4=CC=CC=C4.Cl |
Product Overview
C26H29NO4.ClH.1/2H2O (CAS 86433-59-2), with molecular formula C26H30ClNO4 and molecular weight 455.19 g/mol. IUPAC: 4-piperidin-1-ylbutan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride.
Chemical Property Profile of C26H29NO4.ClH.1/2H2O
Property Insights of C26H29NO4.ClH.1/2H2O
The XLogP value of 5.61152 indicates that C26H29NO4.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.75 Ų, C26H29NO4.ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C26H29NO4.ClH.1/2H2O has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C26H29NO4.ClH.1/2H2O?
The CAS number of C26H29NO4.ClH.1/2H2O is 86433-59-2.
What is the molecular formula of C26H29NO4.ClH.1/2H2O?
The molecular formula of C26H29NO4.ClH.1/2H2O is C26H30ClNO4.
What is the molecular weight of C26H29NO4.ClH.1/2H2O?
The molecular weight of C26H29NO4.ClH.1/2H2O is 455.19 g/mol.
Where can I buy C26H29NO4.ClH.1/2H2O?
You can request a quote for C26H29NO4.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H29NO4.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C26H29NO4.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.