RefChem:299337
TL;DR: RefChem:299337 (CAS 93838-98-3) is a chemical compound with molecular formula C11H13N5OS2 and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(1,4-dimethyltetrazol-5-ylidene)ethylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: EINECS 298-769-2, 3-allyl-5-[ethylidene]-2-thioxothiazolidin-4-one, 3-ALLYL-5-[(1,4-DIHYDRO-1,4-DIMETHYL-5H-TETRAZOL-5-YLIDENE)ETHYLIDENE]-2-THIOXOTHIAZOLIDIN-4-ONE, 5-[2-(1,4-Dihydro-1,4-dimethyl-5H-tetrazol-5-ylidene)ethylidene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone, 5-[2-(1,4-dimethyltetrazol-5-ylidene)ethylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C11H13N5OS2 |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 1.9174 |
| Topological Polar Surface Area | 51.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.05615 |
| Heavy Atoms | 19 |
| Complexity | 511.1786 |
Chemical Identifiers
| CAS Number | 93838-98-3 |
|---|---|
| SMILES | CN1C(=CC=C2C(=O)N(C(=S)S2)CC=C)N(N=N1)C |
Product Overview
RefChem:299337 (CAS 93838-98-3), with molecular formula C11H13N5OS2 and molecular weight 295.06 g/mol. IUPAC: 5-[2-(1,4-dimethyltetrazol-5-ylidene)ethylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:299337
Property Insights of RefChem:299337
The XLogP value of 1.9174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:299337. With a topological polar surface area (TPSA) of 51.51 Ų, RefChem:299337 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:299337 has 0 hydrogen bond donor(s) and 7 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:299337?
The CAS number of RefChem:299337 is 93838-98-3.
What is the molecular formula of RefChem:299337?
The molecular formula of RefChem:299337 is C11H13N5OS2.
What is the molecular weight of RefChem:299337?
The molecular weight of RefChem:299337 is 295.06 g/mol.
Where can I buy RefChem:299337?
You can request a quote for RefChem:299337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299337?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.