BAS 02729632
TL;DR: BAS 02729632 (CAS 335209-23-9) is a chemical compound with molecular formula C21H25N7OS2 and molecular weight 455.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Also Known As: BAS 02729632, AB00105415-01, N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide, N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
| Molecular Formula | C21H25N7OS2 |
|---|---|
| Molecular Weight | 455.16 g/mol |
| LogP | 4.8738 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.1562 |
| Heavy Atoms | 31 |
| Complexity | 1217.1151 |
Chemical Identifiers
| CAS Number | 335209-23-9 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SC(CC)C(=O)NC4=NN=C(S4)C(C)C |
Product Overview
BAS 02729632 (CAS 335209-23-9), with molecular formula C21H25N7OS2 and molecular weight 455.16 g/mol. IUPAC: N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide.
Chemical Property Profile of BAS 02729632
Property Insights of BAS 02729632
The XLogP value of 4.8738 indicates that BAS 02729632 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02729632. Following Lipinski's Rule of Five, BAS 02729632 has 1 hydrogen bond donor(s) and 8 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 02729632?
The CAS number of BAS 02729632 is 335209-23-9.
What is the molecular formula of BAS 02729632?
The molecular formula of BAS 02729632 is C21H25N7OS2.
What is the molecular weight of BAS 02729632?
The molecular weight of BAS 02729632 is 455.16 g/mol.
Where can I buy BAS 02729632?
You can request a quote for BAS 02729632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02729632?
Yes, KEHONG BIO provides custom synthesis services for BAS 02729632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.