RefChem:1079358
TL;DR: RefChem:1079358 (CAS 86135-39-9) is a chemical compound with molecular formula C29H35N3O8S and molecular weight 585.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[2-[2-[3-[cyclohexyl(methyl)amino]propoxy]-5-nitrophenyl]-2H-1,3-benzothiazol-3-yl]ethanone
Also Known As: Benzothiazole, 2,3-dihydro-3-acetyl-2-(2-(3-(cyclohexylmethylamino)propoxy)-5-nitrophenyl)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-[2-[2-[3-[cyclohexyl(methyl)amino]propoxy]-5-nitrophenyl]-2H-1,3-benzothiazol-3-yl]ethanone, RefChem:1079358
| Molecular Formula | C29H35N3O8S |
|---|---|
| Molecular Weight | 585.21 g/mol |
| LogP | 5.4974 |
| Topological Polar Surface Area | 150.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 585.2145 |
| Heavy Atoms | 41 |
| Complexity | 1262.458 |
Chemical Identifiers
| CAS Number | 86135-39-9 |
|---|---|
| SMILES | CC(=O)N1C(SC2=CC=CC=C21)C3=C(C=CC(=C3)[N+](=O)[O-])OCCCN(C)C4CCCCC4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1079358 (CAS 86135-39-9), with molecular formula C29H35N3O8S and molecular weight 585.21 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[2-[2-[3-[cyclohexyl(methyl)amino]propoxy]-5-nitrophenyl]-2H-1,3-benzothiazol-3-yl]ethanone.
Chemical Property Profile of RefChem:1079358
Property Insights of RefChem:1079358
The XLogP value of 5.4974 indicates that RefChem:1079358 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.52 Ų indicates high polarity, suggesting RefChem:1079358 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1079358 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1079358?
The CAS number of RefChem:1079358 is 86135-39-9.
What is the molecular formula of RefChem:1079358?
The molecular formula of RefChem:1079358 is C29H35N3O8S.
What is the molecular weight of RefChem:1079358?
The molecular weight of RefChem:1079358 is 585.21 g/mol.
Where can I buy RefChem:1079358?
You can request a quote for RefChem:1079358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079358?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.