BAS 00401601
TL;DR: BAS 00401601 (CAS 329362-18-7) is a chemical compound with molecular formula C14H12ClN3O4 and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3-chlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 00401601, J1.289.164D, ethyl 5-(3-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, A1098/0051560, ETHYL 5-(3-CHLOROPHENYL)-4,6-DIOXO-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE
| Molecular Formula | C14H12ClN3O4 |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 0.7203 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.05164 |
| Heavy Atoms | 22 |
| Complexity | 703.0833 |
Chemical Identifiers
| CAS Number | 329362-18-7 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC(=CC=C3)Cl |
Product Overview
BAS 00401601 (CAS 329362-18-7), with molecular formula C14H12ClN3O4 and molecular weight 321.05 g/mol. IUPAC: ethyl 5-(3-chlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 00401601
Property Insights of BAS 00401601
The XLogP value of 0.7203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00401601. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00401601. Following Lipinski's Rule of Five, BAS 00401601 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 00401601?
The CAS number of BAS 00401601 is 329362-18-7.
What is the molecular formula of BAS 00401601?
The molecular formula of BAS 00401601 is C14H12ClN3O4.
What is the molecular weight of BAS 00401601?
The molecular weight of BAS 00401601 is 321.05 g/mol.
Where can I buy BAS 00401601?
You can request a quote for BAS 00401601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00401601?
Yes, KEHONG BIO provides custom synthesis services for BAS 00401601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.