BAS 08768418
TL;DR: BAS 08768418 (CAS 957500-05-9) is a chemical compound with molecular formula C15H14ClN3O5 and molecular weight 351.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(5-chloro-2-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 08768418, ethyl 5-(5-chloro-2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 5-(5-chloro-2-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C15H14ClN3O5 |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 0.7289 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.0622 |
| Heavy Atoms | 24 |
| Complexity | 763.47644 |
Chemical Identifiers
| CAS Number | 957500-05-9 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)OC |
Product Overview
BAS 08768418 (CAS 957500-05-9), with molecular formula C15H14ClN3O5 and molecular weight 351.06 g/mol. IUPAC: ethyl 5-(5-chloro-2-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 08768418
Property Insights of BAS 08768418
The XLogP value of 0.7289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08768418. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08768418. Following Lipinski's Rule of Five, BAS 08768418 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 08768418?
The CAS number of BAS 08768418 is 957500-05-9.
What is the molecular formula of BAS 08768418?
The molecular formula of BAS 08768418 is C15H14ClN3O5.
What is the molecular weight of BAS 08768418?
The molecular weight of BAS 08768418 is 351.06 g/mol.
Where can I buy BAS 08768418?
You can request a quote for BAS 08768418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08768418?
Yes, KEHONG BIO provides custom synthesis services for BAS 08768418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.