3P-380S
TL;DR: 3P-380S (CAS 478033-10-2) is a chemical compound with molecular formula C16H19N3O4S2 and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-N-methylsulfonylmethanesulfonamide
Also Known As: 3P-380S, N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-N-(methylsulfonyl)methanesulfonamide, N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-N-methylsulfonylmethanesulfonamide, N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-N-methanesulfonylmethanesulfonamide, N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-N-methylsulfonyl-methanesulfonamide
| Molecular Formula | C16H19N3O4S2 |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 1.75052 |
| Topological Polar Surface Area | 100.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.0817 |
| Heavy Atoms | 25 |
| Complexity | 1015.03485 |
Chemical Identifiers
| CAS Number | 478033-10-2 |
|---|---|
| SMILES | CC1=C(N(C(=C1C#N)N(S(=O)(=O)C)S(=O)(=O)C)CC2=CC=CC=C2)C |
Product Overview
3P-380S (CAS 478033-10-2), with molecular formula C16H19N3O4S2 and molecular weight 381.08 g/mol. IUPAC: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-N-methylsulfonylmethanesulfonamide.
Chemical Property Profile of 3P-380S
Property Insights of 3P-380S
The XLogP value of 1.75052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3P-380S. The TPSA of 100.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3P-380S. Following Lipinski's Rule of Five, 3P-380S 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 3P-380S?
The CAS number of 3P-380S is 478033-10-2.
What is the molecular formula of 3P-380S?
The molecular formula of 3P-380S is C16H19N3O4S2.
What is the molecular weight of 3P-380S?
The molecular weight of 3P-380S is 381.08 g/mol.
Where can I buy 3P-380S?
You can request a quote for 3P-380S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3P-380S?
Yes, KEHONG BIO provides custom synthesis services for 3P-380S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.