RefChem:1100076
TL;DR: RefChem:1100076 (CAS 31759-17-8) is a chemical compound with molecular formula C30H33NO5S and molecular weight 519.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N,N-dimethyl-3-[2-[(4-methylphenyl)methoxy]-9H-thioxanthen-9-yl]propan-1-amine
Also Known As: C26H27NOS.C4H4O4.1/2H2O, 2-(4-Methylbenzyloxy)-9-(3-dimethylaminopropylidene)thioxanthene fumarate hemihydrate, C26-H27-N-O-S.C4-H4-O4.1/2H2-O, Thioxanthene-delta(sup 9,gamma)-propylamine, N,N-dimethyl-2-((p-methylbenzyl)oxy)-, fumarate,hydrate (2:2:1), (E)-but-2-enedioic acid; N,N-dimethyl-3-[2-[(4-methylphenyl)methoxy]-9H-thioxanthen-9-yl]propan-1-amine
| Molecular Formula | C30H33NO5S |
|---|---|
| Molecular Weight | 519.21 g/mol |
| LogP | 6.22412 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.20795 |
| Heavy Atoms | 37 |
| Complexity | 1220.9741 |
Chemical Identifiers
| CAS Number | 31759-17-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC2=CC3=C(C=C2)SC4=CC=CC=C4C3CCCN(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1100076 (CAS 31759-17-8), with molecular formula C30H33NO5S and molecular weight 519.21 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-dimethyl-3-[2-[(4-methylphenyl)methoxy]-9H-thioxanthen-9-yl]propan-1-amine.
Chemical Property Profile of RefChem:1100076
Property Insights of RefChem:1100076
The XLogP value of 6.22412 indicates that RefChem:1100076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1100076. Following Lipinski's Rule of Five, RefChem:1100076 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1100076?
The CAS number of RefChem:1100076 is 31759-17-8.
What is the molecular formula of RefChem:1100076?
The molecular formula of RefChem:1100076 is C30H33NO5S.
What is the molecular weight of RefChem:1100076?
The molecular weight of RefChem:1100076 is 519.21 g/mol.
Where can I buy RefChem:1100076?
You can request a quote for RefChem:1100076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100076?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.