2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a
TL;DR: 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a (CAS 149402-51-7) is a chemical compound with molecular formula C39H48N4O4 and molecular weight 636.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
Also Known As: photochlor, HPPH, Unable to generate value, 31-(Hexyloxy)phytochlorin, 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a
| Molecular Formula | C39H48N4O4 |
|---|---|
| Molecular Weight | 636.37 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 636.36755 |
| Heavy Atoms | 47 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 149402-51-7 |
|---|---|
| SMILES | CCCCCCOC(C)C1=C(C2=NC1=CC3=NC(=CC4=C(C5=C(CC(=C6[C@H]([C@@H](C(=C2)N6)C)CCC(=O)O)C5=N4)O)C)C(=C3C)CC)C |
| InChIKey | PUUBADHCONCMPA-USOGPTGWSA-N |
Product Overview
2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a (CAS 149402-51-7), with molecular formula C39H48N4O4 and molecular weight 636.37 g/mol. IUPAC: 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid.
Chemical Property Profile of 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a
Property Insights of 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a
The XLogP value of 4.2 indicates that 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a. Following Lipinski's Rule of Five, 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a?
The CAS number of 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a is 149402-51-7.
What is the molecular formula of 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a?
The molecular formula of 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a is C39H48N4O4.
What is the molecular weight of 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a?
The molecular weight of 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a is 636.37 g/mol.
Where can I buy 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a?
You can request a quote for 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.