BAS 07804475
TL;DR: BAS 07804475 (CAS 339110-65-5) is a chemical compound with molecular formula C13H9ClN2O5 and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Also Known As: BAS 07804475, A3561/0151054, methyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate, methyl 5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate, METHYL 5-(4-CHLOROPHENYL)-4,6-DIOXO-3AH,4H,5H,6H,6AH-PYRROLO[3,4-D][1,2]OXAZOLE-3-CARBOXYLATE
| Molecular Formula | C13H9ClN2O5 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 0.7572 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.02 |
| Heavy Atoms | 21 |
| Complexity | 669.6441 |
Chemical Identifiers
| CAS Number | 339110-65-5 |
|---|---|
| SMILES | COC(=O)C1=NOC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Cl |
Product Overview
BAS 07804475 (CAS 339110-65-5), with molecular formula C13H9ClN2O5 and molecular weight 308.02 g/mol. IUPAC: methyl 5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate.
Chemical Property Profile of BAS 07804475
Property Insights of BAS 07804475
The XLogP value of 0.7572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07804475. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07804475. Following Lipinski's Rule of Five, BAS 07804475 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 07804475?
The CAS number of BAS 07804475 is 339110-65-5.
What is the molecular formula of BAS 07804475?
The molecular formula of BAS 07804475 is C13H9ClN2O5.
What is the molecular weight of BAS 07804475?
The molecular weight of BAS 07804475 is 308.02 g/mol.
Where can I buy BAS 07804475?
You can request a quote for BAS 07804475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07804475?
Yes, KEHONG BIO provides custom synthesis services for BAS 07804475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.