RefChem:1083352
TL;DR: RefChem:1083352 (CAS 55301-88-7) is a chemical compound with molecular formula C28H36N2O9S and molecular weight 576.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;(Z)-4,4-dihydroxybut-2-enoic acid;[5-(4-methylpiperazin-1-yl)-5,6,6a,10a-tetrahydrobenzo[b][1]benzothiepin-3-yl]methanol
Also Known As: 10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-methanol dimaleate, Dibenzo(b,f)thiepin-2-methanol, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:2), 8-Hydroxymethyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin di(hydrogen maleate), DIBENZO(b,f)THIEPIN-2-METHANOL, 10,11-DIHYDRO-11-(4-METHYL-1-PIPERAZINYL)-, (Z)-, (Z)-but-2-enedioic acid; (Z)-4,4-dihydroxybut-2-enoic acid; [5-(4-methylpiperazin-1-yl)-5,6,6a,10a-tetrahydrobenzo[b][1]benzothiepin-3-yl]methanol
| Molecular Formula | C28H36N2O9S |
|---|---|
| Molecular Weight | 576.21 g/mol |
| LogP | 1.7237 |
| Topological Polar Surface Area | 179.07 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 576.2142 |
| Heavy Atoms | 40 |
| Complexity | 1108.777 |
Chemical Identifiers
| CAS Number | 55301-88-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3C=CC=CC3SC4=C2C=C(C=C4)CO.C(=C\C(=O)O)\C(O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1083352 (CAS 55301-88-7), with molecular formula C28H36N2O9S and molecular weight 576.21 g/mol. IUPAC: (Z)-but-2-enedioic acid;(Z)-4,4-dihydroxybut-2-enoic acid;[5-(4-methylpiperazin-1-yl)-5,6,6a,10a-tetrahydrobenzo[b][1]benzothiepin-3-yl]methanol.
Chemical Property Profile of RefChem:1083352
Property Insights of RefChem:1083352
The XLogP value of 1.7237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083352. The TPSA of 179.07 Ų indicates high polarity, suggesting RefChem:1083352 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1083352 has 6 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:1083352?
The CAS number of RefChem:1083352 is 55301-88-7.
What is the molecular formula of RefChem:1083352?
The molecular formula of RefChem:1083352 is C28H36N2O9S.
What is the molecular weight of RefChem:1083352?
The molecular weight of RefChem:1083352 is 576.21 g/mol.
Where can I buy RefChem:1083352?
You can request a quote for RefChem:1083352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083352?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.