丙氨酰-丙氨酰-苯丙氨酸氯甲基酮
TL;DR: 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮 (CAS 1021298-13-4) is a chemical compound with molecular formula C16H22ClN3O3 and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙氨酰-丙氨酰-苯丙氨酸氯甲基酮
(2S)-2-amino-N-[(2S)-2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]propanoyl]propanamide
Also Known As: AAPCK, AAF-chloromethylketone, AAF-CMK, Ala-ala-phe-chloromethyl ketone, Alanyl-alanyl-phenylalanine chloromethyl ketone
| Molecular Formula | C16H22ClN3O3 |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 339.13498 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 1021298-13-4 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)[C@H](C)N[C@@H](CC1=CC=CC=C1)C(=O)CCl)N |
| InChIKey | TXTWGNHCLZWABT-GVXVVHGQSA-N |
Product Overview
丙氨酰-丙氨酰-苯丙氨酸氯甲基酮 (CAS 1021298-13-4), with molecular formula C16H22ClN3O3 and molecular weight 339.13 g/mol. IUPAC: (2S)-2-amino-N-[(2S)-2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]propanoyl]propanamide.
Chemical Property Profile of 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮
Property Insights of 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮. Following Lipinski's Rule of Five, 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮 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 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮?
The CAS number of 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮 is 1021298-13-4.
What is the molecular formula of 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮?
The molecular formula of 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮 is C16H22ClN3O3.
What is the molecular weight of 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮?
The molecular weight of 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮 is 339.13 g/mol.
Where can I buy 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮?
You can request a quote for 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮?
Yes, KEHONG BIO provides custom synthesis services for 丙氨酰-丙氨酰-苯丙氨酸氯甲基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.