KK 3
TL;DR: KK 3 (CAS 6632-07-1) is a chemical compound with molecular formula C23H31N3O4 and molecular weight 413.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanamide
Also Known As: KK 3, Tyr-N-methy-gab-phe-OH, Tyrosyl-N-methyl-gamma-aminobutylyl-phenylalaninol, 4-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanamide, 4-[[(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPANOYL]-METHYL-AMINO]-N-[(2S)-1 -HYDROXY-3-PHENYL-PROPAN-2-YL]BUTANAMIDE
| Molecular Formula | C23H31N3O4 |
|---|---|
| Molecular Weight | 413.23 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 413.23145 |
| Heavy Atoms | 30 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 6632-07-1 |
|---|---|
| SMILES | CN(CCCC(=O)N[C@@H](CC1=CC=CC=C1)CO)C(=O)[C@H](CC2=CC=C(C=C2)O)N |
| InChIKey | NYWBUISAOGPARC-FPOVZHCZSA-N |
Product Overview
KK 3 (CAS 6632-07-1), with molecular formula C23H31N3O4 and molecular weight 413.23 g/mol. IUPAC: 4-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanamide.
Chemical Property Profile of KK 3
Property Insights of KK 3
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KK 3. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KK 3. Following Lipinski's Rule of Five, KK 3 has 4 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 KK 3?
The CAS number of KK 3 is 6632-07-1.
What is the molecular formula of KK 3?
The molecular formula of KK 3 is C23H31N3O4.
What is the molecular weight of KK 3?
The molecular weight of KK 3 is 413.23 g/mol.
Where can I buy KK 3?
You can request a quote for KK 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KK 3?
Yes, KEHONG BIO provides custom synthesis services for KK 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.