AB00980856-01
TL;DR: AB00980856-01 (CAS 790707-06-1) is a chemical compound with molecular formula C22H16N4OS3 and molecular weight 448.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-7-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Also Known As: AB00980856-01, 7-[[(6,7-Dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]methyl]-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-5-one
| Molecular Formula | C22H16N4OS3 |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 5.2087 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.0486 |
| Heavy Atoms | 30 |
| Complexity | 1452.3406 |
Chemical Identifiers
| CAS Number | 790707-06-1 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SCC4=CC(=O)N5C(=CSC5=N4)C6=CC=CC=C6 |
Product Overview
AB00980856-01 (CAS 790707-06-1), with molecular formula C22H16N4OS3 and molecular weight 448.05 g/mol. IUPAC: 3-phenyl-7-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
Chemical Property Profile of AB00980856-01
Property Insights of AB00980856-01
The XLogP value of 5.2087 indicates that AB00980856-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00980856-01. Following Lipinski's Rule of Five, AB00980856-01 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00980856-01?
The CAS number of AB00980856-01 is 790707-06-1.
What is the molecular formula of AB00980856-01?
The molecular formula of AB00980856-01 is C22H16N4OS3.
What is the molecular weight of AB00980856-01?
The molecular weight of AB00980856-01 is 448.05 g/mol.
Where can I buy AB00980856-01?
You can request a quote for AB00980856-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00980856-01?
Yes, KEHONG BIO provides custom synthesis services for AB00980856-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.