AB00722134-01
TL;DR: AB00722134-01 (CAS 379244-41-4) is a chemical compound with molecular formula C18H15ClFN3OS2 and molecular weight 407.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide
Also Known As: AB00722134-01, AF-399/40684118, F1174-2464, N-(3-chloro-4-fluorophenyl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)acetamide, N-(3-chloro-4-fluorophenyl)-2-((2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide
| Molecular Formula | C18H15ClFN3OS2 |
|---|---|
| Molecular Weight | 407.03 g/mol |
| LogP | 5.01172 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.0329 |
| Heavy Atoms | 26 |
| Complexity | 1021.3291 |
Chemical Identifiers
| CAS Number | 379244-41-4 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=CC(=C(C=C4)F)Cl |
Product Overview
AB00722134-01 (CAS 379244-41-4), with molecular formula C18H15ClFN3OS2 and molecular weight 407.03 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00722134-01
Property Insights of AB00722134-01
The XLogP value of 5.01172 indicates that AB00722134-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00722134-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00722134-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00722134-01?
The CAS number of AB00722134-01 is 379244-41-4.
What is the molecular formula of AB00722134-01?
The molecular formula of AB00722134-01 is C18H15ClFN3OS2.
What is the molecular weight of AB00722134-01?
The molecular weight of AB00722134-01 is 407.03 g/mol.
Where can I buy AB00722134-01?
You can request a quote for AB00722134-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00722134-01?
Yes, KEHONG BIO provides custom synthesis services for AB00722134-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.