TL;DR: Bpd-DB (CAS 130851-16-0) is a chemical compound with molecular formula C40H40N4O8 and molecular weight 704.2846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[9-(2-carboxyethyl)-15-ethenyl-20,21-bis(methoxycarbonyl)-4,10,14,19-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,21,23-dodecaen-5-yl]propanoic acid
Also Known As: BPD-DB, 3-[9-(2-carboxyethyl)-15-ethenyl-20,21-bis(methoxycarbonyl)-4,10,14,19-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,21,23-dodecaen-5-yl]propanoic acid, (2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol, 23H,25H-Benzo[b]porphine-9,13-dipropanoic acid, 19-ethenyl-1,22a-dihydro-1,2-bis(methoxycarbonyl)-8,, 19-ethenyl-1,22a-dihydro-1,2-bis(methoxycarbonyl)-8,14,18,22a-tetramethyl-23H,25H-Benzo[b]porphine-9,13-dipropanoic acid
| Molecular Formula | C40H40N4O8 |
| Molecular Weight | 704.2846 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 704.2846 Da |
| Heavy Atoms | 52 |
| Complexity | 1480.0 |
| SMILES | CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C6(C(C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C=C)C)C(=C3CCC(=O)O)C)CCC(=O)O |
| InChIKey | LHFHZBHYULQOHI-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Bpd-DB is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting Bpd-DB may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bpd-DB has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bpd-DB is 130851-16-0.
The molecular formula of Bpd-DB is C40H40N4O8.
The molecular weight of Bpd-DB is 704.2846 g/mol.
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