RefChem:1049215
TL;DR: RefChem:1049215 (CAS 73840-01-4) is a chemical compound with molecular formula C10H14BrN3O3S and molecular weight 334.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl carbamimidothioate;hydrobromide
Also Known As: 2-(3,6-Endoxohexahydrophthalimidomethylthio)pseudourea hydrobromide, S-3,6-Endoxohexahydrophthalimidomethylisothiouronium bromide, Pseudourea, 2-(3,6-endoxohexahydrophthalimidomethylthio)-, hydrobromide, (1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl carbamimidothioate--hydrogen bromide (1/1), Carbamimidothioic acid, (octahydro-1,3-dioxo-4,7-epoxy-2H-isoindol-2-yl)methyl ester, monohydrobromide
| Molecular Formula | C10H14BrN3O3S |
|---|---|
| Molecular Weight | 334.99 g/mol |
| LogP | 0.31087 |
| Topological Polar Surface Area | 96.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.99393 |
| Heavy Atoms | 18 |
| Complexity | 391.1721 |
Chemical Identifiers
| CAS Number | 73840-01-4 |
|---|---|
| SMILES | C1CC2C3C(C1O2)C(=O)N(C3=O)CSC(=N)N.Br |
Product Overview
RefChem:1049215 (CAS 73840-01-4), with molecular formula C10H14BrN3O3S and molecular weight 334.99 g/mol. IUPAC: (1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl carbamimidothioate;hydrobromide.
Chemical Property Profile of RefChem:1049215
Property Insights of RefChem:1049215
The XLogP value of 0.31087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1049215. The TPSA of 96.48 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1049215. Following Lipinski's Rule of Five, RefChem:1049215 has 2 hydrogen bond donor(s) and 5 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:1049215?
The CAS number of RefChem:1049215 is 73840-01-4.
What is the molecular formula of RefChem:1049215?
The molecular formula of RefChem:1049215 is C10H14BrN3O3S.
What is the molecular weight of RefChem:1049215?
The molecular weight of RefChem:1049215 is 334.99 g/mol.
Where can I buy RefChem:1049215?
You can request a quote for RefChem:1049215 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049215?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049215 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.