Pretiadil
TL;DR: Pretiadil (CAS 30840-27-8) is a chemical compound with molecular formula C26H31N3O2S and molecular weight 449.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-[3-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)propyl]-1-phenylpropan-2-amine
Also Known As: Pretiadil, pretiadilum, Pretiadil [INN:DCF], PRETIADIL [INN], 3-Methyl-1,2-cyclopentanedione
| Molecular Formula | C26H31N3O2S |
|---|---|
| Molecular Weight | 449.21 g/mol |
| LogP | 4.9163 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.21368 |
| Heavy Atoms | 32 |
| Complexity | 1164.4542 |
Chemical Identifiers
| CAS Number | 30840-27-8 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)N(C)CCCN2C3=CC=CC=C3N(S(=O)(=O)C4=CC=CC=C42)C |
Product Overview
Pretiadil (CAS 30840-27-8), with molecular formula C26H31N3O2S and molecular weight 449.21 g/mol. IUPAC: N-methyl-N-[3-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)propyl]-1-phenylpropan-2-amine.
Chemical Property Profile of Pretiadil
Property Insights of Pretiadil
The XLogP value of 4.9163 indicates that Pretiadil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, Pretiadil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pretiadil has 0 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 Pretiadil?
The CAS number of Pretiadil is 30840-27-8.
What is the molecular formula of Pretiadil?
The molecular formula of Pretiadil is C26H31N3O2S.
What is the molecular weight of Pretiadil?
The molecular weight of Pretiadil is 449.21 g/mol.
Where can I buy Pretiadil?
You can request a quote for Pretiadil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pretiadil?
Yes, KEHONG BIO provides custom synthesis services for Pretiadil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.