AB00672987-01
TL;DR: AB00672987-01 (CAS 380342-89-2) is a chemical compound with molecular formula C26H22FN3O3S2 and molecular weight 507.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]phenyl]acetamide
Also Known As: AB00672987-01, F1008-0260, N-[4-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-4-yl)phenyl]acetamide, N-[4-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]phenyl]acetamide, N-(4-(2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)phenyl)acetamide
| Molecular Formula | C26H22FN3O3S2 |
|---|---|
| Molecular Weight | 507.11 g/mol |
| LogP | 5.3985 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.10867 |
| Heavy Atoms | 35 |
| Complexity | 1491.7982 |
Chemical Identifiers
| CAS Number | 380342-89-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)F)SC5=C3CCCC5 |
Product Overview
AB00672987-01 (CAS 380342-89-2), with molecular formula C26H22FN3O3S2 and molecular weight 507.11 g/mol. IUPAC: N-[4-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]phenyl]acetamide.
Chemical Property Profile of AB00672987-01
Property Insights of AB00672987-01
The XLogP value of 5.3985 indicates that AB00672987-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672987-01. Following Lipinski's Rule of Five, AB00672987-01 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 AB00672987-01?
The CAS number of AB00672987-01 is 380342-89-2.
What is the molecular formula of AB00672987-01?
The molecular formula of AB00672987-01 is C26H22FN3O3S2.
What is the molecular weight of AB00672987-01?
The molecular weight of AB00672987-01 is 507.11 g/mol.
Where can I buy AB00672987-01?
You can request a quote for AB00672987-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672987-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672987-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.