THT-9 (DR. PINEDO)
TL;DR: THT-9 (DR. PINEDO) (CAS 67395-16-8) is a chemical compound with molecular formula C24H25NO4S and molecular weight 423.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(2-methoxy-2-oxoethyl)-3-phenyl-2-phenylsulfanyl-5,6,7,8-tetrahydropyrrolizine-1-carboxylate
Also Known As: THT-9 (DR. PINEDO), methyl 1-(2-methoxy-2-oxoethyl)-3-phenyl-2-phenylsulfanyl-5,6,7,8-tetrahydropyrrolizine-1-carboxylate, Methyl 1-(2-methoxy-2-oxoethyl)-3-phenyl-2-(phenylsulfanyl)-5,6,7,7a-tetrahydro-1H-pyrrolizine-1-carboxylate
| Molecular Formula | C24H25NO4S |
|---|---|
| Molecular Weight | 423.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.15042 |
| Heavy Atoms | 30 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 67395-16-8 |
|---|---|
| SMILES | COC(=O)CC1(C2CCCN2C(=C1SC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC |
| InChIKey | MPFMDONSMLFXDQ-UHFFFAOYSA-N |
Product Overview
THT-9 (DR. PINEDO) (CAS 67395-16-8), with molecular formula C24H25NO4S and molecular weight 423.15 g/mol. IUPAC: methyl 1-(2-methoxy-2-oxoethyl)-3-phenyl-2-phenylsulfanyl-5,6,7,8-tetrahydropyrrolizine-1-carboxylate.
Chemical Property Profile of THT-9 (DR. PINEDO)
Property Insights of THT-9 (DR. PINEDO)
The XLogP value of 4.1 indicates that THT-9 (DR. PINEDO) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for THT-9 (DR. PINEDO). Following Lipinski's Rule of Five, THT-9 (DR. PINEDO) has 0 hydrogen bond donor(s) and 6 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-9 (DR. PINEDO)?
The CAS number of THT-9 (DR. PINEDO) is 67395-16-8.
What is the molecular formula of THT-9 (DR. PINEDO)?
The molecular formula of THT-9 (DR. PINEDO) is C24H25NO4S.
What is the molecular weight of THT-9 (DR. PINEDO)?
The molecular weight of THT-9 (DR. PINEDO) is 423.15 g/mol.
Where can I buy THT-9 (DR. PINEDO)?
You can request a quote for THT-9 (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-9 (DR. PINEDO)?
Yes, KEHONG BIO provides custom synthesis services for THT-9 (DR. PINEDO) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.