AB01304547-01
TL;DR: AB01304547-01 (CAS 899392-13-3) is a chemical compound with molecular formula C23H21ClN4O3S and molecular weight 468.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: AB01304547-01, 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide, 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide, 2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide, 2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
| Molecular Formula | C23H21ClN4O3S |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 5.19102 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 468.1023 |
| Heavy Atoms | 32 |
| Complexity | 1176.4419 |
Chemical Identifiers
| CAS Number | 899392-13-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)COC4=CC=C(C=C4)Cl |
Product Overview
AB01304547-01 (CAS 899392-13-3), with molecular formula C23H21ClN4O3S and molecular weight 468.10 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of AB01304547-01
Property Insights of AB01304547-01
The XLogP value of 5.19102 indicates that AB01304547-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01304547-01. Following Lipinski's Rule of Five, AB01304547-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01304547-01?
The CAS number of AB01304547-01 is 899392-13-3.
What is the molecular formula of AB01304547-01?
The molecular formula of AB01304547-01 is C23H21ClN4O3S.
What is the molecular weight of AB01304547-01?
The molecular weight of AB01304547-01 is 468.10 g/mol.
Where can I buy AB01304547-01?
You can request a quote for AB01304547-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01304547-01?
Yes, KEHONG BIO provides custom synthesis services for AB01304547-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.