RefChem:1065187
TL;DR: RefChem:1065187 (CAS 153804-56-9) is a chemical compound with molecular formula C26H31NO7S and molecular weight 501.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
Also Known As: 2H-1-Benzopyran-3-amine, 3,4-dihydro-N-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)propyl)-5-methoxy-, (E)-2-butenedioate (1:1), But-2-enedioic Acid; 5-methoxy-N-(3-thiochroman-8-yloxypropyl)chroman-3-amine, (E)-but-2-enedioic acid; N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine, RefChem:1065187
| Molecular Formula | C26H31NO7S |
|---|---|
| Molecular Weight | 501.18 g/mol |
| LogP | 3.8075 |
| Topological Polar Surface Area | 114.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.18213 |
| Heavy Atoms | 35 |
| Complexity | 1010.1055 |
Chemical Identifiers
| CAS Number | 153804-56-9 |
|---|---|
| SMILES | COC1=CC=CC2=C1CC(CO2)NCCCOC3=CC=CC4=C3SCCC4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1065187 (CAS 153804-56-9), with molecular formula C26H31NO7S and molecular weight 501.18 g/mol. IUPAC: (E)-but-2-enedioic acid;N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine.
Chemical Property Profile of RefChem:1065187
Property Insights of RefChem:1065187
The XLogP value of 3.8075 indicates that RefChem:1065187 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.32 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065187. Following Lipinski's Rule of Five, RefChem:1065187 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1065187?
The CAS number of RefChem:1065187 is 153804-56-9.
What is the molecular formula of RefChem:1065187?
The molecular formula of RefChem:1065187 is C26H31NO7S.
What is the molecular weight of RefChem:1065187?
The molecular weight of RefChem:1065187 is 501.18 g/mol.
Where can I buy RefChem:1065187?
You can request a quote for RefChem:1065187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065187?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.