RefChem:313649
TL;DR: RefChem:313649 (CAS 13574-90-8) is a chemical compound with molecular formula C19H21ClN2S and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-methylsulfanyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Also Known As: 6-Methylthio-3-methyl-1-phenyl-1,2,3,4-tetrahydro-beta-carboline hydrochloride, 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-3-methyl-6-methylthio-1-phenyl-, hydrochloride, 3-methyl-6-methylsulfanyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride, 3-Methyl-6-(methylsulfanyl)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1), RefChem:313649
| Molecular Formula | C19H21ClN2S |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 4.9352 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.1114 |
| Heavy Atoms | 23 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 13574-90-8 |
|---|---|
| SMILES | CC1CC2=C(C(N1)C3=CC=CC=C3)NC4=C2C=C(C=C4)SC.Cl |
| InChIKey | RLSAELJCFWABHB-UHFFFAOYSA-N |
Product Overview
RefChem:313649 (CAS 13574-90-8), with molecular formula C19H21ClN2S and molecular weight 344.11 g/mol. IUPAC: 3-methyl-6-methylsulfanyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.
Chemical Property Profile of RefChem:313649
Property Insights of RefChem:313649
The XLogP value of 4.9352 indicates that RefChem:313649 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, RefChem:313649 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:313649 has 3 hydrogen bond donor(s) and 2 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:313649?
The CAS number of RefChem:313649 is 13574-90-8.
What is the molecular formula of RefChem:313649?
The molecular formula of RefChem:313649 is C19H21ClN2S.
What is the molecular weight of RefChem:313649?
The molecular weight of RefChem:313649 is 344.11 g/mol.
Where can I buy RefChem:313649?
You can request a quote for RefChem:313649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:313649?
Yes, KEHONG BIO provides custom synthesis services for RefChem:313649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.