Bacteriochlorin a
TL;DR: Bacteriochlorin a (CAS 111537-26-9) is a chemical compound with molecular formula C34H38N4O7 and molecular weight 614.27405 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7R,8R,17S,18S)-12-acetyl-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-7,8,17,18,21,23-hexahydroporphyrin-2-carboxylic acid
Also Known As: Bacteriochlorin a, KST-1A0552, KST-1A0553, (7R,8R,17S,18S)-12-acetyl-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-7,8,17,18,21,23-hexahydroporphyrin-2-carboxylic acid, (7r,8r,17s,18s)-12-acetyl-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-7,8,17,18-tetrahydroporphyrin-2-carboxylic acid
Technical Specifications
| Molecular Formula | C34H38N4O7 |
| Molecular Weight | 614.27405 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 614.27405 Da |
| Heavy Atoms | 45 |
| Complexity | 1140.0 |
| SMILES | CC[C@@H]1[C@H](C2=NC1=CC3=C(C(=C(N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=C2)N5)C(=O)C)C)C)CCC(=O)O)CC(=O)O)C(=O)O)C)C |
| InChIKey | MILOJLOJFSWAGE-ITKAJJHTSA-N |
Chemical Property Profile of Bacteriochlorin a
Property Insights of Bacteriochlorin a
The XLogP value of 3.9 indicates that Bacteriochlorin a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting Bacteriochlorin a may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bacteriochlorin a has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bacteriochlorin a?
The CAS number of Bacteriochlorin a is 111537-26-9.
What is the molecular formula of Bacteriochlorin a?
The molecular formula of Bacteriochlorin a is C34H38N4O7.
What is the molecular weight of Bacteriochlorin a?
The molecular weight of Bacteriochlorin a is 614.27405 g/mol.
Where can I buy Bacteriochlorin a?
You can request a quote for Bacteriochlorin a directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bacteriochlorin a?
Yes, CoreyChem provides custom synthesis services for Bacteriochlorin a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.