alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride
TL;DR: alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride (CAS 37094-60-3) is a chemical compound with molecular formula C22H30ClNOS and molecular weight 391.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzo[e][1]benzothiol-4-yl-2-hydroxyethyl)-dibutylazanium chloride
Also Known As: alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride, NAPHTHO(2,1-b)THIOPHENE-4-METHANOL, alpha-((DIBUTYLAMINO)METHYL)-, HYDROCHLORIDE, (2-benzo[e][1]benzothiol-4-yl-2-hydroxyethyl)-dibutylazanium chloride
| Molecular Formula | C22H30ClNOS |
|---|---|
| Molecular Weight | 391.17 g/mol |
| LogP | 1.58 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.17368 |
| Heavy Atoms | 26 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 37094-60-3 |
|---|---|
| SMILES | CCCC[NH+](CCCC)CC(C1=CC2=CC=CC=C2C3=C1SC=C3)O.[Cl-] |
| InChIKey | HKJCVOSTTJVHOA-UHFFFAOYSA-N |
Product Overview
alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride (CAS 37094-60-3), with molecular formula C22H30ClNOS and molecular weight 391.17 g/mol. IUPAC: (2-benzo[e][1]benzothiol-4-yl-2-hydroxyethyl)-dibutylazanium chloride.
Chemical Property Profile of alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride
Property Insights of alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride
The XLogP value of 1.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride. With a topological polar surface area (TPSA) of 52.9 Ų, alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride has 2 hydrogen bond donor(s) and 3 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 alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride?
The CAS number of alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride is 37094-60-3.
What is the molecular formula of alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride?
The molecular formula of alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride is C22H30ClNOS.
What is the molecular weight of alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride?
The molecular weight of alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride is 391.17 g/mol.
Where can I buy alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride?
You can request a quote for alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-((Dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.