A12B4C3
TL;DR: A12B4C3 (CAS 1005129-80-5) is a chemical compound with molecular formula C30H38N4O5 and molecular weight 534.28424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-hydroxyundecyl)-1-(4-nitroanilino)-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
Also Known As: A 12B4C3, BCB02_000099, A 12B4C3;A-12B4C3, EX-A14544, A12B4C3, >=98% (HPLC)
Technical Specifications
| Molecular Formula | C30H38N4O5 |
| Molecular Weight | 534.28424 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 534.28424 Da |
| Heavy Atoms | 39 |
| Complexity | 847.0 |
| SMILES | CCCCCCCCCCC(C1C=CC2C(N1NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4=CC=CC=C4)O |
| InChIKey | KVHGJAKTBPFFNV-UHFFFAOYSA-N |
Chemical Property Profile of A12B4C3
Property Insights of A12B4C3
The XLogP value of 8.0 indicates that A12B4C3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A12B4C3. Following Lipinski's Rule of Five, A12B4C3 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of A12B4C3?
The CAS number of A12B4C3 is 1005129-80-5.
What is the molecular formula of A12B4C3?
The molecular formula of A12B4C3 is C30H38N4O5.
What is the molecular weight of A12B4C3?
The molecular weight of A12B4C3 is 534.28424 g/mol.
Where can I buy A12B4C3?
You can request a quote for A12B4C3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for A12B4C3?
Yes, CoreyChem provides custom synthesis services for A12B4C3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.