BAS 10837991
TL;DR: BAS 10837991 (CAS 727675-66-3) is a chemical compound with molecular formula C23H20N6O2S and molecular weight 444.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
Also Known As: BAS 10837991, BRD-K71859397-001-01-7, A3769/0159892, 2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide, 2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
| Molecular Formula | C23H20N6O2S |
|---|---|
| Molecular Weight | 444.14 g/mol |
| LogP | 3.43484 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.13684 |
| Heavy Atoms | 32 |
| Complexity | 1562.3507 |
Chemical Identifiers
| CAS Number | 727675-66-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C)S(=O)(=O)NCC5=CN=CC=C5 |
Product Overview
BAS 10837991 (CAS 727675-66-3), with molecular formula C23H20N6O2S and molecular weight 444.14 g/mol. IUPAC: 2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
Chemical Property Profile of BAS 10837991
Property Insights of BAS 10837991
The XLogP value of 3.43484 indicates that BAS 10837991 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10837991. Following Lipinski's Rule of Five, BAS 10837991 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 10837991?
The CAS number of BAS 10837991 is 727675-66-3.
What is the molecular formula of BAS 10837991?
The molecular formula of BAS 10837991 is C23H20N6O2S.
What is the molecular weight of BAS 10837991?
The molecular weight of BAS 10837991 is 444.14 g/mol.
Where can I buy BAS 10837991?
You can request a quote for BAS 10837991 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10837991?
Yes, KEHONG BIO provides custom synthesis services for BAS 10837991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.