BAS 00401603
TL;DR: BAS 00401603 (CAS 329362-20-1) is a chemical compound with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 00401603, A1098/0051562, ethyl 5-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 5-(3-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ETHYL 5-(3-METHOXYPHENYL)-4,6-DIOXO-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE
| Molecular Formula | C15H15N3O5 |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 0.0755 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.10117 |
| Heavy Atoms | 23 |
| Complexity | 714.81885 |
Chemical Identifiers
| CAS Number | 329362-20-1 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC(=CC=C3)OC |
Product Overview
BAS 00401603 (CAS 329362-20-1), with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol. IUPAC: ethyl 5-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 00401603
Property Insights of BAS 00401603
The XLogP value of 0.0755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00401603. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00401603. Following Lipinski's Rule of Five, BAS 00401603 has 1 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 BAS 00401603?
The CAS number of BAS 00401603 is 329362-20-1.
What is the molecular formula of BAS 00401603?
The molecular formula of BAS 00401603 is C15H15N3O5.
What is the molecular weight of BAS 00401603?
The molecular weight of BAS 00401603 is 317.10 g/mol.
Where can I buy BAS 00401603?
You can request a quote for BAS 00401603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00401603?
Yes, KEHONG BIO provides custom synthesis services for BAS 00401603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.