BAS 07380862
TL;DR: BAS 07380862 (CAS 910110-39-3) is a chemical compound with molecular formula C20H17ClN4O5 and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-2-chlorobenzoic acid
Also Known As: BAS 07380862, 5-{5-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]furan-2-yl}-2-chlorobenzoic acid, 5-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-2-chlorobenzoic acid, 5-[5-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-furyl]-2-chloro-benzoic acid, 5-(5-(Bis(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)methyl)furan-2-yl)-2-chlorobenzoic acid
| Molecular Formula | C20H17ClN4O5 |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 3.12804 |
| Topological Polar Surface Area | 147.74 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.08875 |
| Heavy Atoms | 30 |
| Complexity | 1315.9905 |
Chemical Identifiers
| CAS Number | 910110-39-3 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C4=C(NNC4=O)C |
Product Overview
BAS 07380862 (CAS 910110-39-3), with molecular formula C20H17ClN4O5 and molecular weight 428.09 g/mol. IUPAC: 5-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-2-chlorobenzoic acid.
Chemical Property Profile of BAS 07380862
Property Insights of BAS 07380862
The XLogP value of 3.12804 indicates that BAS 07380862 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.74 Ų indicates high polarity, suggesting BAS 07380862 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 07380862 has 5 hydrogen bond donor(s) and 4 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 07380862?
The CAS number of BAS 07380862 is 910110-39-3.
What is the molecular formula of BAS 07380862?
The molecular formula of BAS 07380862 is C20H17ClN4O5.
What is the molecular weight of BAS 07380862?
The molecular weight of BAS 07380862 is 428.09 g/mol.
Where can I buy BAS 07380862?
You can request a quote for BAS 07380862 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07380862?
Yes, KEHONG BIO provides custom synthesis services for BAS 07380862 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.