Bacteriochlorophyll
TL;DR: Bacteriochlorophyll (CAS 17499-98-8) is a chemical compound with molecular formula C55H74MgN4O6 and molecular weight 910.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
magnesium methyl 16-acetyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-(3,7,11,15-tetramethylhexadec-2-enoxy)propyl]-23,25-diaza-7,24-diazanidahexacyclo[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: Bacteriochlorophyll, Bacteriochlorophyll from Rhodopseudomonas sphaeroides, Magnesium, ((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-13,14-dihydro-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-kappaN23,kappaN24,kappaN25,kappaN26)-, (SP-4-2)-, Magnesium, [(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-13,14-dihydro-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, (SP-4-2)-, Magnesium, [(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,13R,14S,21R)-9-acetyl-14-ethyl-13,14-dihydro-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, (SP-4-2)-
| Molecular Formula | C55H74MgN4O6 |
|---|---|
| Molecular Weight | 910.55 g/mol |
| LogP | 12.35794 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 22 |
| Exact Mass | 910.5459 |
| Heavy Atoms | 66 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 17499-98-8 |
|---|---|
| SMILES | CCC1C(C2=CC3=C(C(=C([N-]3)C=C4C(C(C(=N4)C5=C6C(=C(C(=CC1=N2)[N-]6)C)C(=O)C5C(=O)OC)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C.[Mg+2] |
| InChIKey | DSJXIQQMORJERS-UHFFFAOYSA-M |
Product Overview
Bacteriochlorophyll (CAS 17499-98-8), with molecular formula C55H74MgN4O6 and molecular weight 910.55 g/mol. IUPAC: magnesium methyl 16-acetyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-(3,7,11,15-tetramethylhexadec-2-enoxy)propyl]-23,25-diaza-7,24-diazanidahexacyclo[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 Bacteriochlorophyll
Property Insights of Bacteriochlorophyll
The XLogP value of 12.35794 indicates that Bacteriochlorophyll is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bacteriochlorophyll. Following Lipinski's Rule of Five, Bacteriochlorophyll has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bacteriochlorophyll?
The CAS number of Bacteriochlorophyll is 17499-98-8.
What is the molecular formula of Bacteriochlorophyll?
The molecular formula of Bacteriochlorophyll is C55H74MgN4O6.
What is the molecular weight of Bacteriochlorophyll?
The molecular weight of Bacteriochlorophyll is 910.55 g/mol.
Where can I buy Bacteriochlorophyll?
You can request a quote for Bacteriochlorophyll directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bacteriochlorophyll?
Yes, KEHONG BIO provides custom synthesis services for Bacteriochlorophyll and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.