A12B4C3
TL;DR: A12B4C3 (CAS 1005129-80-5) is a chemical compound with molecular formula C30H38N4O5 and molecular weight 534.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)
| Molecular Formula | C30H38N4O5 |
|---|---|
| Molecular Weight | 534.28 g/mol |
| LogP | 5.612 |
| Topological Polar Surface Area | 116.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 534.28424 |
| Heavy Atoms | 39 |
| Complexity | 1153.7024 |
Chemical Identifiers
| CAS Number | 1005129-80-5 |
|---|---|
| SMILES | CCCCCCCCCCC(C1C=CC2C(N1NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4=CC=CC=C4)O |
Product Overview
A12B4C3 (CAS 1005129-80-5), with molecular formula C30H38N4O5 and molecular weight 534.28 g/mol. IUPAC: 2-(1-hydroxyundecyl)-1-(4-nitroanilino)-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione.
Chemical Property Profile of A12B4C3
Property Insights of A12B4C3
The XLogP value of 5.612 indicates that A12B4C3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.02 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
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 534.28 g/mol.
Where can I buy A12B4C3?
You can request a quote for A12B4C3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A12B4C3?
Yes, KEHONG BIO provides custom synthesis services for A12B4C3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.