BAS 05014481
TL;DR: BAS 05014481 (CAS 495381-42-5) is a chemical compound with molecular formula C15H14ClN3O4 and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3-chloro-4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 05014481, AO-081/15043004, ethyl 5-(3-chloro-4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 5-(3-chloro-4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 5-(3-chloro-4-methylphenyl)-4,6-dioxo-3,5,3a,6a-tetrahydro-2,3,5-triazap entalenecarboxylate
| Molecular Formula | C15H14ClN3O4 |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 1.02872 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.0673 |
| Heavy Atoms | 23 |
| Complexity | 746.23755 |
Chemical Identifiers
| CAS Number | 495381-42-5 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl |
Product Overview
BAS 05014481 (CAS 495381-42-5), with molecular formula C15H14ClN3O4 and molecular weight 335.07 g/mol. IUPAC: ethyl 5-(3-chloro-4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 05014481
Property Insights of BAS 05014481
The XLogP value of 1.02872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05014481. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05014481. Following Lipinski's Rule of Five, BAS 05014481 has 1 hydrogen bond donor(s) and 6 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 BAS 05014481?
The CAS number of BAS 05014481 is 495381-42-5.
What is the molecular formula of BAS 05014481?
The molecular formula of BAS 05014481 is C15H14ClN3O4.
What is the molecular weight of BAS 05014481?
The molecular weight of BAS 05014481 is 335.07 g/mol.
Where can I buy BAS 05014481?
You can request a quote for BAS 05014481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05014481?
Yes, KEHONG BIO provides custom synthesis services for BAS 05014481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.