12P-337S
TL;DR: 12P-337S (CAS 477709-80-1) is a chemical compound with molecular formula C23H19N5O2S and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,3,4-oxadiazole
Also Known As: 12P-337S, methyl 4-[({5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]phenyl ether, 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,3,4-oxadiazole, 2-{[(4-methoxyphenyl)methyl]sulfanyl}-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-1,3,4-oxadiazole, 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,3,4-oxadiazole
| Molecular Formula | C23H19N5O2S |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 5.0139 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.12595 |
| Heavy Atoms | 31 |
| Complexity | 1261.3225 |
Chemical Identifiers
| CAS Number | 477709-80-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=C(O2)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5 |
Product Overview
12P-337S (CAS 477709-80-1), with molecular formula C23H19N5O2S and molecular weight 429.13 g/mol. IUPAC: 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,3,4-oxadiazole.
Chemical Property Profile of 12P-337S
Property Insights of 12P-337S
The XLogP value of 5.0139 indicates that 12P-337S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 12P-337S. Following Lipinski's Rule of Five, 12P-337S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12P-337S?
The CAS number of 12P-337S is 477709-80-1.
What is the molecular formula of 12P-337S?
The molecular formula of 12P-337S is C23H19N5O2S.
What is the molecular weight of 12P-337S?
The molecular weight of 12P-337S is 429.13 g/mol.
Where can I buy 12P-337S?
You can request a quote for 12P-337S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12P-337S?
Yes, KEHONG BIO provides custom synthesis services for 12P-337S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.