THT-2 (DR. PINEDO)
TL;DR: THT-2 (DR. PINEDO) (CAS 70779-58-7) is a chemical compound with molecular formula C16H23NO4 and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-methoxy-2-oxoethyl)-1,2,3,3a,5,6,7,8-octahydropyrrolo[1,2-a]indole-4-carboxylate
Also Known As: THT-2 (DR. PINEDO), methyl 4-(2-methoxy-2-oxoethyl)-1,2,3,3a,5,6,7,8-octahydropyrrolo[1,2-a]indole-4-carboxylate, methyl 4-(2-methoxy-2-oxoethyl)-1,2,3,3a,5,6,7,8-octahydropy, Methyl 9-(2-methoxy-2-oxoethyl)-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]indole-9-carboxylate
| Molecular Formula | C16H23NO4 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.16272 |
| Heavy Atoms | 21 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 70779-58-7 |
|---|---|
| SMILES | COC(=O)CC1(C2CCCN2C3=C1CCCC3)C(=O)OC |
| InChIKey | MCTRMTHCWARJFG-UHFFFAOYSA-N |
Product Overview
THT-2 (DR. PINEDO) (CAS 70779-58-7), with molecular formula C16H23NO4 and molecular weight 293.16 g/mol. IUPAC: methyl 4-(2-methoxy-2-oxoethyl)-1,2,3,3a,5,6,7,8-octahydropyrrolo[1,2-a]indole-4-carboxylate.
Chemical Property Profile of THT-2 (DR. PINEDO)
Property Insights of THT-2 (DR. PINEDO)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for THT-2 (DR. PINEDO). With a topological polar surface area (TPSA) of 55.8 Ų, THT-2 (DR. PINEDO) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, THT-2 (DR. PINEDO) has 0 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 THT-2 (DR. PINEDO)?
The CAS number of THT-2 (DR. PINEDO) is 70779-58-7.
What is the molecular formula of THT-2 (DR. PINEDO)?
The molecular formula of THT-2 (DR. PINEDO) is C16H23NO4.
What is the molecular weight of THT-2 (DR. PINEDO)?
The molecular weight of THT-2 (DR. PINEDO) is 293.16 g/mol.
Where can I buy THT-2 (DR. PINEDO)?
You can request a quote for THT-2 (DR. PINEDO) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for THT-2 (DR. PINEDO)?
Yes, KEHONG BIO provides custom synthesis services for THT-2 (DR. PINEDO) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.