Bacteriopheophytin a
TL;DR: Bacteriopheophytin a (CAS 17453-58-6) is a chemical compound with molecular formula C55H76N4O6 and molecular weight 888.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaene-3-carboxylate
Also Known As: Bacteriopheophytin, Bacteriopheophytin a, Bacteriopheophytin?, Bacteriopheophytin B, bacteriochlorophyll a
| Molecular Formula | C55H76N4O6 |
|---|---|
| Molecular Weight | 888.58 g/mol |
| LogP | 13.48054 |
| Topological Polar Surface Area | 144.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 888.5765 |
| Heavy Atoms | 65 |
| Complexity | 2454.0637 |
Chemical Identifiers
| CAS Number | 17453-58-6 |
|---|---|
| SMILES | CC[C@@H]1[C@H](C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C5=C6C(=C(C(=CC1=N2)N6)C)C(=O)[C@@H]5C(=O)OC)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C |
Product Overview
Bacteriopheophytin a (CAS 17453-58-6), with molecular formula C55H76N4O6 and molecular weight 888.58 g/mol. IUPAC: methyl (3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaene-3-carboxylate.
Chemical Property Profile of Bacteriopheophytin a
Property Insights of Bacteriopheophytin a
The XLogP value of 13.48054 indicates that Bacteriopheophytin a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.1 Ų indicates high polarity, suggesting Bacteriopheophytin a may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bacteriopheophytin a has 2 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 Bacteriopheophytin a?
The CAS number of Bacteriopheophytin a is 17453-58-6.
What is the molecular formula of Bacteriopheophytin a?
The molecular formula of Bacteriopheophytin a is C55H76N4O6.
What is the molecular weight of Bacteriopheophytin a?
The molecular weight of Bacteriopheophytin a is 888.58 g/mol.
Where can I buy Bacteriopheophytin a?
You can request a quote for Bacteriopheophytin a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bacteriopheophytin a?
Yes, KEHONG BIO provides custom synthesis services for Bacteriopheophytin a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.