RefChem:385373
TL;DR: RefChem:385373 (CAS 5502-38-5) is a chemical compound with molecular formula C19H29Cl2N3OS and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-3,4-dihydro-1H-pyrano[4,3-b]indole;dihydrochloride
Also Known As: Thiopyrano(4,3-b)indole, 1,3,4,5-tetrahydro-5-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride, 1,3,4,5-Tetrahydro-5-(3-(4-methyl-1-piperazinyl)propyl)thiopyrano(4,3-b)indole dihydrochloride, 5-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-3,4-dihydro-1H-pyrano[4,3-b]indole dihydrochloride, 5-{[3-(4-Methylpiperazin-1-yl)propyl]sulfanyl}-1,3,4,5-tetrahydropyrano[4,3-b]indole--hydrogen chloride (1/2), RefChem:385373
| Molecular Formula | C19H29Cl2N3OS |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 3.6914 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.14084 |
| Heavy Atoms | 26 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 5502-38-5 |
|---|---|
| SMILES | CN1CCN(CC1)CCCSN2C3=C(COCC3)C4=CC=CC=C42.Cl.Cl |
| InChIKey | NUDAYQJUPUGEAC-UHFFFAOYSA-N |
Product Overview
RefChem:385373 (CAS 5502-38-5), with molecular formula C19H29Cl2N3OS and molecular weight 417.14 g/mol. IUPAC: 5-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-3,4-dihydro-1H-pyrano[4,3-b]indole;dihydrochloride.
Chemical Property Profile of RefChem:385373
Property Insights of RefChem:385373
The XLogP value of 3.6914 indicates that RefChem:385373 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.9 Ų, RefChem:385373 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:385373 has 2 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 RefChem:385373?
The CAS number of RefChem:385373 is 5502-38-5.
What is the molecular formula of RefChem:385373?
The molecular formula of RefChem:385373 is C19H29Cl2N3OS.
What is the molecular weight of RefChem:385373?
The molecular weight of RefChem:385373 is 417.14 g/mol.
Where can I buy RefChem:385373?
You can request a quote for RefChem:385373 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:385373?
Yes, KEHONG BIO provides custom synthesis services for RefChem:385373 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.