RefChem:313648
TL;DR: RefChem:313648 (CAS 13574-91-9) is a chemical compound with molecular formula C22H27ClN2O3S and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-methylsulfanyl-1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Also Known As: 6-Methylthio-1-(3,4,5-trimethoxyphenyl)-3-methyl-1,2,3,4-tetrahydro-beta-carboline HCl, 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-3-methyl-6-methylthio-1- (3,4,5-trimethoxyphenyl)-, hydrochloride, 3-Methyl-6-(methylsulfanyl)-1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1), 3-methyl-6-methylsulfanyl-1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride, 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-3-methyl-6-methylthio-1-(3,4,5-trimethoxyphenyl)-, hydrochloride
| Molecular Formula | C22H27ClN2O3S |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 4.961 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.1431 |
| Heavy Atoms | 29 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 13574-91-9 |
|---|---|
| SMILES | CC1CC2=C(C(N1)C3=CC(=C(C(=C3)OC)OC)OC)NC4=C2C=C(C=C4)SC.Cl |
| InChIKey | JXNCMHDLLNTDQW-UHFFFAOYSA-N |
Product Overview
RefChem:313648 (CAS 13574-91-9), with molecular formula C22H27ClN2O3S and molecular weight 434.14 g/mol. IUPAC: 3-methyl-6-methylsulfanyl-1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.
Chemical Property Profile of RefChem:313648
Property Insights of RefChem:313648
The XLogP value of 4.961 indicates that RefChem:313648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:313648. Following Lipinski's Rule of Five, RefChem:313648 has 3 hydrogen bond donor(s) and 5 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:313648?
The CAS number of RefChem:313648 is 13574-91-9.
What is the molecular formula of RefChem:313648?
The molecular formula of RefChem:313648 is C22H27ClN2O3S.
What is the molecular weight of RefChem:313648?
The molecular weight of RefChem:313648 is 434.14 g/mol.
Where can I buy RefChem:313648?
You can request a quote for RefChem:313648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:313648?
Yes, KEHONG BIO provides custom synthesis services for RefChem:313648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.