RefChem:1056669
TL;DR: RefChem:1056669 (CAS 43040-47-7) is a chemical compound with molecular formula C28H33N3O9S and molecular weight 587.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);3-[4-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-ol
Also Known As: 4-(5,6-Dihydro(1)benzothiepino(2,3-b)pyridin-6-yl)-1-piperazinepropanol dimaleate, 1-Piperazinepropanol, 4-(5,6-dihydro(1)benzothiepino(2,3-b)pyridin-6-yl)-, (Z)-2-butenedioate (1:2), 6-(4-(3-Hydroxypropyl)piperazino)-5,6-dihydrodibenzo(b)pyrido(3,2-f)thiepin dimaleate, (E)-but-2-enedioic acid; 3-[4-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-ol, RefChem:1056669
| Molecular Formula | C28H33N3O9S |
|---|---|
| Molecular Weight | 587.19 g/mol |
| LogP | 2.2536 |
| Topological Polar Surface Area | 188.8 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 587.1937 |
| Heavy Atoms | 41 |
| Complexity | 1177.8185 |
Chemical Identifiers
| CAS Number | 43040-47-7 |
|---|---|
| SMILES | C1N(CCN(C1)C2C3=CC=CC=C3SC4=C(C2)C=CC=N4)CCCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056669 (CAS 43040-47-7), with molecular formula C28H33N3O9S and molecular weight 587.19 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-ol.
Chemical Property Profile of RefChem:1056669
Property Insights of RefChem:1056669
The XLogP value of 2.2536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056669. The TPSA of 188.8 Ų indicates high polarity, suggesting RefChem:1056669 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056669 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056669?
The CAS number of RefChem:1056669 is 43040-47-7.
What is the molecular formula of RefChem:1056669?
The molecular formula of RefChem:1056669 is C28H33N3O9S.
What is the molecular weight of RefChem:1056669?
The molecular weight of RefChem:1056669 is 587.19 g/mol.
Where can I buy RefChem:1056669?
You can request a quote for RefChem:1056669 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056669?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.