9-甲基-β-咔啉
TL;DR: 9-甲基-β-咔啉 (CAS 2521-07-5) is a chemical compound with molecular formula C29H40N4O6 and molecular weight 540.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-甲基-β-咔啉
(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
Also Known As: Boc-phe-phe-lys-H, BPPL, 4-Chlor-phthalsaeure-diamid, Butyloxycarbonyl-phenylalanyl-phenylalanyl-lysine, n-(tert-butoxycarbonyl)-d-phenylalanyl-l-phenylalanyl-l-lysine
| Molecular Formula | C29H40N4O6 |
|---|---|
| Molecular Weight | 540.29 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 540.2948 |
| Heavy Atoms | 39 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 2521-07-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)O |
| InChIKey | GLWZHIKLYRGPPZ-KMDXXIMOSA-N |
Product Overview
9-甲基-β-咔啉 (CAS 2521-07-5), with molecular formula C29H40N4O6 and molecular weight 540.29 g/mol. IUPAC: (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid.
Chemical Property Profile of 9-甲基-β-咔啉
Property Insights of 9-甲基-β-咔啉
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-甲基-β-咔啉. The TPSA of 160.0 Ų indicates high polarity, suggesting 9-甲基-β-咔啉 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-甲基-β-咔啉 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-甲基-β-咔啉?
The CAS number of 9-甲基-β-咔啉 is 2521-07-5.
What is the molecular formula of 9-甲基-β-咔啉?
The molecular formula of 9-甲基-β-咔啉 is C29H40N4O6.
What is the molecular weight of 9-甲基-β-咔啉?
The molecular weight of 9-甲基-β-咔啉 is 540.29 g/mol.
Where can I buy 9-甲基-β-咔啉?
You can request a quote for 9-甲基-β-咔啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-甲基-β-咔啉?
Yes, KEHONG BIO provides custom synthesis services for 9-甲基-β-咔啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.