舒布硫胺
TL;DR: 舒布硫胺 (CAS 3286-46-2) is a chemical compound with molecular formula C32H46N8O6S2 and molecular weight 702.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
舒布硫胺
[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate
Also Known As: Sulbutiamine, bisibutiamine, Bisibuthiamine, Sulbutiaminum, Bisibutiamin
| Molecular Formula | C32H46N8O6S2 |
|---|---|
| Molecular Weight | 702.30 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Exact Mass | 702.29816 |
| Heavy Atoms | 48 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 3286-46-2 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C(C)C)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCOC(=O)C(C)C)C |
| InChIKey | CKHJPWQVLKHBIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
舒布硫胺 (CAS 3286-46-2), with molecular formula C32H46N8O6S2 and molecular weight 702.30 g/mol. IUPAC: [4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate.
Chemical Property Profile of 舒布硫胺
Property Insights of 舒布硫胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 舒布硫胺. The TPSA of 247.0 Ų indicates high polarity, suggesting 舒布硫胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 舒布硫胺 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 舒布硫胺?
The CAS number of 舒布硫胺 is 3286-46-2.
What is the molecular formula of 舒布硫胺?
The molecular formula of 舒布硫胺 is C32H46N8O6S2.
What is the molecular weight of 舒布硫胺?
The molecular weight of 舒布硫胺 is 702.30 g/mol.
Where can I buy 舒布硫胺?
You can request a quote for 舒布硫胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 舒布硫胺?
Yes, KEHONG BIO provides custom synthesis services for 舒布硫胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.