3-Hydroxymethyl-picumast
TL;DR: 3-Hydroxymethyl-picumast (CAS 102402-47-1) is a chemical compound with molecular formula C25H29ClN2O4 and molecular weight 456.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-(hydroxymethyl)-4-methylchromen-2-one
Also Known As: 3-Hydroxymethyl-picumast, 2-AMINO-2-PHOSPHONO-CYCLOHEXANE-1-CARBOXYLIC ACID, 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-(hydroxymethyl)-4-methylchromen-2-one, 2H-1-Benzopyran-2-one,7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-3-(hydroxymethyl)-4-methyl-, 2H-1-Benzopyran-2-one, 7-(3-(4-((4-chlorophenyl)methyl)-1-piperazinyl)propoxy)-3-(hydroxymethyl)-4-methyl-
| Molecular Formula | C25H29ClN2O4 |
|---|---|
| Molecular Weight | 456.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.18158 |
| Heavy Atoms | 32 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 102402-47-1 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)CO |
| InChIKey | KSEGSVAXULZZCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxymethyl-picumast (CAS 102402-47-1), with molecular formula C25H29ClN2O4 and molecular weight 456.18 g/mol. IUPAC: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-(hydroxymethyl)-4-methylchromen-2-one.
Chemical Property Profile of 3-Hydroxymethyl-picumast
Property Insights of 3-Hydroxymethyl-picumast
The XLogP value of 3.8 indicates that 3-Hydroxymethyl-picumast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxymethyl-picumast. Following Lipinski's Rule of Five, 3-Hydroxymethyl-picumast has 1 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 3-Hydroxymethyl-picumast?
The CAS number of 3-Hydroxymethyl-picumast is 102402-47-1.
What is the molecular formula of 3-Hydroxymethyl-picumast?
The molecular formula of 3-Hydroxymethyl-picumast is C25H29ClN2O4.
What is the molecular weight of 3-Hydroxymethyl-picumast?
The molecular weight of 3-Hydroxymethyl-picumast is 456.18 g/mol.
Where can I buy 3-Hydroxymethyl-picumast?
You can request a quote for 3-Hydroxymethyl-picumast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxymethyl-picumast?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxymethyl-picumast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.