BAS 01206357
TL;DR: BAS 01206357 (CAS 499193-35-0) is a chemical compound with molecular formula C16H14BrN3O5 and molecular weight 407.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-acetyl-5-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 01206357, ethyl 1-acetyl-5-(4-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 1-acetyl-5-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C16H14BrN3O5 |
|---|---|
| Molecular Weight | 407.01 g/mol |
| LogP | 1.0883 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.0117 |
| Heavy Atoms | 25 |
| Complexity | 804.49316 |
Chemical Identifiers
| CAS Number | 499193-35-0 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br)C(=O)C |
Product Overview
BAS 01206357 (CAS 499193-35-0), with molecular formula C16H14BrN3O5 and molecular weight 407.01 g/mol. IUPAC: ethyl 1-acetyl-5-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 01206357
Property Insights of BAS 01206357
The XLogP value of 1.0883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01206357. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01206357. Following Lipinski's Rule of Five, BAS 01206357 has 0 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 01206357?
The CAS number of BAS 01206357 is 499193-35-0.
What is the molecular formula of BAS 01206357?
The molecular formula of BAS 01206357 is C16H14BrN3O5.
What is the molecular weight of BAS 01206357?
The molecular weight of BAS 01206357 is 407.01 g/mol.
Where can I buy BAS 01206357?
You can request a quote for BAS 01206357 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01206357?
Yes, KEHONG BIO provides custom synthesis services for BAS 01206357 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.