AB01311412-01
TL;DR: AB01311412-01 (CAS 844860-95-3) is a chemical compound with molecular formula C24H25N5O5 and molecular weight 463.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-hydroxy-[1-(3-imidazol-1-ylpropyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: AB01311412-01, methyl 4-(1-(3-(1H-imidazol-1-yl)propyl)-4-hydroxy-5-oxo-2-(pyridin-3-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-hydroxy-[1-(3-imidazol-1-ylpropyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-{[4-hydroxy-1-(3-imidazolylpropyl)-5-oxo-2-(3-pyridyl)(3-pyrrolin-3-y l)]carbonyl}-3,5-dimethylpyrrole-2-carboxylate
| Molecular Formula | C24H25N5O5 |
|---|---|
| Molecular Weight | 463.19 g/mol |
| LogP | 2.52164 |
| Topological Polar Surface Area | 130.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.18558 |
| Heavy Atoms | 34 |
| Complexity | 1260.4215 |
Chemical Identifiers
| CAS Number | 844860-95-3 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CN=CC=C4)/O)C)C(=O)OC |
Product Overview
AB01311412-01 (CAS 844860-95-3), with molecular formula C24H25N5O5 and molecular weight 463.19 g/mol. IUPAC: methyl 4-[(E)-hydroxy-[1-(3-imidazol-1-ylpropyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of AB01311412-01
Property Insights of AB01311412-01
The XLogP value of 2.52164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01311412-01. The TPSA of 130.41 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01311412-01. Following Lipinski's Rule of Five, AB01311412-01 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01311412-01?
The CAS number of AB01311412-01 is 844860-95-3.
What is the molecular formula of AB01311412-01?
The molecular formula of AB01311412-01 is C24H25N5O5.
What is the molecular weight of AB01311412-01?
The molecular weight of AB01311412-01 is 463.19 g/mol.
Where can I buy AB01311412-01?
You can request a quote for AB01311412-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01311412-01?
Yes, KEHONG BIO provides custom synthesis services for AB01311412-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.