RefChem:1053156
TL;DR: RefChem:1053156 (CAS 127906-41-6) is a chemical compound with molecular formula C18H19NO6S and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,4-diol
Also Known As: 2-((2-((Methylamino)methyl)phenyl)thio)-1,4-benzenediol (Z)-2-butenedioate (1:1) (salt), 1,4-Benzenediol, 2-((2-((methylamino)methyl)phenyl)thio)-, (Z)-2-butenedioate (1:1) (salt), (2S,4R)-4-benzylpyrrolidine-2-carboxylic acid,hydrochloride, (E)-but-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,4-diol, 2-((2-((Methylamino)methyl)phenyl)thio)-1,4-benzenediol (Z)-2-butenedi oate (1:1) (salt)
| Molecular Formula | C18H19NO6S |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 2.6802 |
| Topological Polar Surface Area | 127.09 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.09332 |
| Heavy Atoms | 26 |
| Complexity | 775.00085 |
Chemical Identifiers
| CAS Number | 127906-41-6 |
|---|---|
| SMILES | CNCC1=CC=CC=C1SC2=C(C=CC(=C2)O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1053156 (CAS 127906-41-6), with molecular formula C18H19NO6S and molecular weight 377.09 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,4-diol.
Chemical Property Profile of RefChem:1053156
Property Insights of RefChem:1053156
The XLogP value of 2.6802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053156. The TPSA of 127.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1053156. Following Lipinski's Rule of Five, RefChem:1053156 has 5 hydrogen bond donor(s) and 6 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:1053156?
The CAS number of RefChem:1053156 is 127906-41-6.
What is the molecular formula of RefChem:1053156?
The molecular formula of RefChem:1053156 is C18H19NO6S.
What is the molecular weight of RefChem:1053156?
The molecular weight of RefChem:1053156 is 377.09 g/mol.
Where can I buy RefChem:1053156?
You can request a quote for RefChem:1053156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053156?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.