RefChem:1083351
TL;DR: RefChem:1083351 (CAS 55301-82-1) is a chemical compound with molecular formula C24H26N2O5S and molecular weight 454.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-hydroxy-4-oxobut-2-enoate;5-(4-methylpiperazin-1-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbaldehyde
Also Known As: 8-Formyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate, Dibenzo(b,f)thiepin-2-carboxaldehyde, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1), 10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-carboxaldehyde maleate, (Z)-4-hydroxy-4-oxobut-2-enoate; 5-(4-methylpiperazin-1-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbaldehyde, RefChem:1083351
| Molecular Formula | C24H26N2O5S |
|---|---|
| Molecular Weight | 454.16 g/mol |
| LogP | 0.4549 |
| Topological Polar Surface Area | 102.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.15625 |
| Heavy Atoms | 32 |
| Complexity | 999.1992 |
Chemical Identifiers
| CAS Number | 55301-82-1 |
|---|---|
| SMILES | CN1CC[NH+](CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C=O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1083351 (CAS 55301-82-1), with molecular formula C24H26N2O5S and molecular weight 454.16 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;5-(4-methylpiperazin-1-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbaldehyde.
Chemical Property Profile of RefChem:1083351
Property Insights of RefChem:1083351
The XLogP value of 0.4549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083351. The TPSA of 102.18 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083351. Following Lipinski's Rule of Five, RefChem:1083351 has 2 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:1083351?
The CAS number of RefChem:1083351 is 55301-82-1.
What is the molecular formula of RefChem:1083351?
The molecular formula of RefChem:1083351 is C24H26N2O5S.
What is the molecular weight of RefChem:1083351?
The molecular weight of RefChem:1083351 is 454.16 g/mol.
Where can I buy RefChem:1083351?
You can request a quote for RefChem:1083351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083351?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.