AB00668038-01
TL;DR: AB00668038-01 (CAS 477303-61-0) is a chemical compound with molecular formula C26H31N7O2S2 and molecular weight 537.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-benzyl-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: AB00668038-01, F0528-1391, (1s,3s)-N-((4-benzyl-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-benzyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide, N-[[4-benzyl-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 | C26H31N7O2S2 |
|---|---|
| Molecular Weight | 537.20 g/mol |
| LogP | 4.04972 |
| Topological Polar Surface Area | 114.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 537.19806 |
| Heavy Atoms | 37 |
| Complexity | 1253.8088 |
Chemical Identifiers
| CAS Number | 477303-61-0 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5 |
Product Overview
AB00668038-01 (CAS 477303-61-0), with molecular formula C26H31N7O2S2 and molecular weight 537.20 g/mol. IUPAC: N-[[4-benzyl-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 AB00668038-01
Property Insights of AB00668038-01
The XLogP value of 4.04972 indicates that AB00668038-01 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 AB00668038-01. Following Lipinski's Rule of Five, AB00668038-01 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 AB00668038-01?
The CAS number of AB00668038-01 is 477303-61-0.
What is the molecular formula of AB00668038-01?
The molecular formula of AB00668038-01 is C26H31N7O2S2.
What is the molecular weight of AB00668038-01?
The molecular weight of AB00668038-01 is 537.20 g/mol.
Where can I buy AB00668038-01?
You can request a quote for AB00668038-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668038-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668038-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.