AB00106181-01
TL;DR: AB00106181-01 (CAS 6376-28-9) is a chemical compound with molecular formula C20H13N5OS and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-[(E)-indol-3-ylidenemethyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: AB00106181-01, 5-amino-6-[(E)-indol-3-ylidenemethyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-amino-3-(indol-3-ylidenemethyl)-8-phenyl-7-thia-1,5,9-triazabicyclo[4.3.0]nona-2,5,8-trien-4-one, 5-Amino-6-[(E)-(3H-indol-3-ylidene)methyl]-2-phenyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C20H13N5OS |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 3.6567 |
| Topological Polar Surface Area | 85.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.08408 |
| Heavy Atoms | 27 |
| Complexity | 1301.2039 |
Chemical Identifiers
| CAS Number | 6376-28-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN3C(=C(C(=O)N=C3S2)/C=C\4/C=NC5=CC=CC=C54)N |
Product Overview
AB00106181-01 (CAS 6376-28-9), with molecular formula C20H13N5OS and molecular weight 371.08 g/mol. IUPAC: 5-amino-6-[(E)-indol-3-ylidenemethyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of AB00106181-01
Property Insights of AB00106181-01
The XLogP value of 3.6567 indicates that AB00106181-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00106181-01. Following Lipinski's Rule of Five, AB00106181-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00106181-01?
The CAS number of AB00106181-01 is 6376-28-9.
What is the molecular formula of AB00106181-01?
The molecular formula of AB00106181-01 is C20H13N5OS.
What is the molecular weight of AB00106181-01?
The molecular weight of AB00106181-01 is 371.08 g/mol.
Where can I buy AB00106181-01?
You can request a quote for AB00106181-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106181-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106181-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.