Thioeserine
TL;DR: Thioeserine (CAS 6665-71-0) is a chemical compound with molecular formula C15H21N3OS and molecular weight 291.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]] N-methylcarbamothioate
Also Known As: Thioeserine, S-[[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]] N-methylcarbamothioate, Carbamothioic acid, methyl-, S-(1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl) ester, (3aS-cis)-, s-[(3as,8ar)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl] methylcarbamothioate, S-(1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl) hydrogen methylcarbonimidothioate
| Molecular Formula | C15H21N3OS |
|---|---|
| Molecular Weight | 291.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.14053 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 6665-71-0 |
|---|---|
| SMILES | C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)SC(=O)NC)C)C |
| InChIKey | VKXLONTUCGLYOR-HIFRSBDPSA-N |
Product Overview
Thioeserine (CAS 6665-71-0), with molecular formula C15H21N3OS and molecular weight 291.14 g/mol. IUPAC: S-[[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]] N-methylcarbamothioate.
Chemical Property Profile of Thioeserine
Property Insights of Thioeserine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thioeserine. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thioeserine. Following Lipinski's Rule of Five, Thioeserine has 1 hydrogen bond donor(s) and 4 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 Thioeserine?
The CAS number of Thioeserine is 6665-71-0.
What is the molecular formula of Thioeserine?
The molecular formula of Thioeserine is C15H21N3OS.
What is the molecular weight of Thioeserine?
The molecular weight of Thioeserine is 291.14 g/mol.
Where can I buy Thioeserine?
You can request a quote for Thioeserine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioeserine?
Yes, KEHONG BIO provides custom synthesis services for Thioeserine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.