N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine
TL;DR: N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine (CAS 137623-46-2) is a chemical compound with molecular formula C22H29N5O3S and molecular weight 443.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-piperidin-1-ylpropyl]phenyl]guanidine
Also Known As: 4-Tgpap, n -4-guanidinophenylalanylpiperidine, N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine, 2-[4-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-piperidin-1-ylpropyl]phenyl]guanidine, N-[3-(4-Carbamimidamidophenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-4-methylbenzene-1-sulfonamide
| Molecular Formula | C22H29N5O3S |
|---|---|
| Molecular Weight | 443.20 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.1991 |
| Heavy Atoms | 31 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 137623-46-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)N=C(N)N)C(=O)N3CCCCC3 |
| InChIKey | NITXQGQPZACTDF-UHFFFAOYSA-N |
Product Overview
N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine (CAS 137623-46-2), with molecular formula C22H29N5O3S and molecular weight 443.20 g/mol. IUPAC: 2-[4-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-piperidin-1-ylpropyl]phenyl]guanidine.
Chemical Property Profile of N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine
Property Insights of N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine. Following Lipinski's Rule of Five, N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine has 3 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 N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine?
The CAS number of N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine is 137623-46-2.
What is the molecular formula of N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine?
The molecular formula of N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine is C22H29N5O3S.
What is the molecular weight of N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine?
The molecular weight of N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine is 443.20 g/mol.
Where can I buy N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine?
You can request a quote for N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for N(alpha)-(4-Toluenesulfonyl)-4-guanidinophenylalanylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.