C18H20ClNO5S
TL;DR: C18H20ClNO5S (CAS 1052222-01-1) is a chemical compound with molecular formula C18H20ClNO5S and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxy-1-benzofuran-3-yl]-thiophen-2-ylmethanone;hydrochloride
Also Known As: (4-((bis(2-hydroxyethyl)amino)methyl)-5-hydroxybenzofuran-3-yl)(thiophen-2-yl)methanone hydrochloride, (4-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-5-hydroxy-benzofuran-3-yl)-thiophen-2-yl-methanone, 4-{[bis(2-hydroxyethyl)amino]methyl}-5-hydroxybenzo[b]furan-3-yl 2-thienyl ket one, chloride
| Molecular Formula | C18H20ClNO5S |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 2.6393 |
| Topological Polar Surface Area | 94.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.07507 |
| Heavy Atoms | 26 |
| Complexity | 855.9739 |
Chemical Identifiers
| CAS Number | 1052222-01-1 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN(CCO)CCO.Cl |
Product Overview
C18H20ClNO5S (CAS 1052222-01-1), with molecular formula C18H20ClNO5S and molecular weight 397.08 g/mol. IUPAC: [4-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxy-1-benzofuran-3-yl]-thiophen-2-ylmethanone;hydrochloride.
Chemical Property Profile of C18H20ClNO5S
Property Insights of C18H20ClNO5S
The XLogP value of 2.6393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H20ClNO5S. The TPSA of 94.14 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H20ClNO5S. Following Lipinski's Rule of Five, C18H20ClNO5S has 3 hydrogen bond donor(s) and 7 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 C18H20ClNO5S?
The CAS number of C18H20ClNO5S is 1052222-01-1.
What is the molecular formula of C18H20ClNO5S?
The molecular formula of C18H20ClNO5S is C18H20ClNO5S.
What is the molecular weight of C18H20ClNO5S?
The molecular weight of C18H20ClNO5S is 397.08 g/mol.
Where can I buy C18H20ClNO5S?
You can request a quote for C18H20ClNO5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H20ClNO5S?
Yes, KEHONG BIO provides custom synthesis services for C18H20ClNO5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.