AB00490395-03
TL;DR: AB00490395-03 (CAS 476439-15-3) is a chemical compound with molecular formula C23H33N7O2S2 and molecular weight 503.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-butyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: AB00490395-03, F0528-1563, N-{[4-butyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide, (1s,3s)-N-((4-butyl-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-[[4-butyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
| Molecular Formula | C23H33N7O2S2 |
|---|---|
| Molecular Weight | 503.21 g/mol |
| LogP | 3.80152 |
| Topological Polar Surface Area | 114.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 503.2137 |
| Heavy Atoms | 34 |
| Complexity | 1014.7445 |
Chemical Identifiers
| CAS Number | 476439-15-3 |
|---|---|
| SMILES | CCCCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
AB00490395-03 (CAS 476439-15-3), with molecular formula C23H33N7O2S2 and molecular weight 503.21 g/mol. IUPAC: N-[[4-butyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of AB00490395-03
Property Insights of AB00490395-03
The XLogP value of 3.80152 indicates that AB00490395-03 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00490395-03. Following Lipinski's Rule of Five, AB00490395-03 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00490395-03?
The CAS number of AB00490395-03 is 476439-15-3.
What is the molecular formula of AB00490395-03?
The molecular formula of AB00490395-03 is C23H33N7O2S2.
What is the molecular weight of AB00490395-03?
The molecular weight of AB00490395-03 is 503.21 g/mol.
Where can I buy AB00490395-03?
You can request a quote for AB00490395-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00490395-03?
Yes, KEHONG BIO provides custom synthesis services for AB00490395-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.