RefChem:1052668
TL;DR: RefChem:1052668 (CAS 127906-28-9) is a chemical compound with molecular formula C19H21NO6S and molecular weight 391.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol
Also Known As: 4-((2-((Dimethylamino)methyl)phenyl)thio)-1,3-benzenediol (Z)-2-butenedioate (1:1) (salt), 1,3-Benzenediol, 4-((2-((dimethylamino)methyl)phenyl)thio)-, (Z)-2-butenedioate (1:1) (salt), (2S,4R)-4-benzylpyrrolidine-2-carboxylic acid,hydrochloride, (E)-but-2-enedioic acid; 4-[2-(dimethylaminomethyl)phenyl]sulfanylbenzene-1,3-diol, 4-(2-Dimethylaminomethyl-phenylsulfanyl)-benzene-1,3-diol; compound with (Z)-but-2-enedioic acid
| Molecular Formula | C19H21NO6S |
|---|---|
| Molecular Weight | 391.11 g/mol |
| LogP | 3.0224 |
| Topological Polar Surface Area | 118.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.10895 |
| Heavy Atoms | 27 |
| Complexity | 803.5972 |
Chemical Identifiers
| CAS Number | 127906-28-9 |
|---|---|
| SMILES | CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1052668 (CAS 127906-28-9), with molecular formula C19H21NO6S and molecular weight 391.11 g/mol. IUPAC: (E)-but-2-enedioic acid;4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol.
Chemical Property Profile of RefChem:1052668
Property Insights of RefChem:1052668
The XLogP value of 3.0224 indicates that RefChem:1052668 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052668. Following Lipinski's Rule of Five, RefChem:1052668 has 4 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:1052668?
The CAS number of RefChem:1052668 is 127906-28-9.
What is the molecular formula of RefChem:1052668?
The molecular formula of RefChem:1052668 is C19H21NO6S.
What is the molecular weight of RefChem:1052668?
The molecular weight of RefChem:1052668 is 391.11 g/mol.
Where can I buy RefChem:1052668?
You can request a quote for RefChem:1052668 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052668?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052668 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.