9P-508S
TL;DR: 9P-508S (CAS 478248-40-7) is a chemical compound with molecular formula C22H22N2O3S2 and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanylbenzoate
Also Known As: 9P-508S, methyl 2-({2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-oxoethyl}sulfanyl)benzenecarboxylate, methyl 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanylbenzoate, methyl 2-({2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl}sulfanyl)benzoate, Methyl 2-[2-(4-benzothiazol-2-yl-1-piperidyl)-2-oxo-ethyl]sulfanylbenzoate
| Molecular Formula | C22H22N2O3S2 |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 4.5812 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.10718 |
| Heavy Atoms | 29 |
| Complexity | 992.5791 |
Chemical Identifiers
| CAS Number | 478248-40-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3 |
Product Overview
9P-508S (CAS 478248-40-7), with molecular formula C22H22N2O3S2 and molecular weight 426.11 g/mol. IUPAC: methyl 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanylbenzoate.
Chemical Property Profile of 9P-508S
Property Insights of 9P-508S
The XLogP value of 4.5812 indicates that 9P-508S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.5 Ų, 9P-508S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9P-508S 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 9P-508S?
The CAS number of 9P-508S is 478248-40-7.
What is the molecular formula of 9P-508S?
The molecular formula of 9P-508S is C22H22N2O3S2.
What is the molecular weight of 9P-508S?
The molecular weight of 9P-508S is 426.11 g/mol.
Where can I buy 9P-508S?
You can request a quote for 9P-508S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9P-508S?
Yes, KEHONG BIO provides custom synthesis services for 9P-508S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.