ChemDiv3_005075
TL;DR: ChemDiv3_005075 (CAS 132038-98-3) is a chemical compound with molecular formula C18H25N9O2S and molecular weight 431.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
Also Known As: ChemDiv3_005075, IDI1_022985, BAS 01258411, AE-848/32061023, BRD-K57049149-001-01-4
| Molecular Formula | C18H25N9O2S |
|---|---|
| Molecular Weight | 431.19 g/mol |
| LogP | 2.07072 |
| Topological Polar Surface Area | 130.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.18518 |
| Heavy Atoms | 30 |
| Complexity | 1053.1046 |
Chemical Identifiers
| CAS Number | 132038-98-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC(=NC(=N2)NC(C)C)NC(C)C)N3C=NN=C3 |
Product Overview
ChemDiv3_005075 (CAS 132038-98-3), with molecular formula C18H25N9O2S and molecular weight 431.19 g/mol. IUPAC: N-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
Chemical Property Profile of ChemDiv3_005075
Property Insights of ChemDiv3_005075
The XLogP value of 2.07072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_005075. The TPSA of 130.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005075. Following Lipinski's Rule of Five, ChemDiv3_005075 has 2 hydrogen bond donor(s) and 9 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 ChemDiv3_005075?
The CAS number of ChemDiv3_005075 is 132038-98-3.
What is the molecular formula of ChemDiv3_005075?
The molecular formula of ChemDiv3_005075 is C18H25N9O2S.
What is the molecular weight of ChemDiv3_005075?
The molecular weight of ChemDiv3_005075 is 431.19 g/mol.
Where can I buy ChemDiv3_005075?
You can request a quote for ChemDiv3_005075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005075?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.