AB00981566-01
TL;DR: AB00981566-01 (CAS 757221-03-7) is a chemical compound with molecular formula C21H22N4O3S3 and molecular weight 474.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Also Known As: AB00981566-01, 2-[[2-[[3,4-Dihydro-5,6-dimethyl-4-oxo-3-(2-propen-1-yl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide, 2-[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
| Molecular Formula | C21H22N4O3S3 |
|---|---|
| Molecular Weight | 474.09 g/mol |
| LogP | 3.64074 |
| Topological Polar Surface Area | 107.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.08542 |
| Heavy Atoms | 31 |
| Complexity | 1285.4912 |
Chemical Identifiers
| CAS Number | 757221-03-7 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N)CC=C)C |
Product Overview
AB00981566-01 (CAS 757221-03-7), with molecular formula C21H22N4O3S3 and molecular weight 474.09 g/mol. IUPAC: 2-[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
Chemical Property Profile of AB00981566-01
Property Insights of AB00981566-01
The XLogP value of 3.64074 indicates that AB00981566-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00981566-01. Following Lipinski's Rule of Five, AB00981566-01 has 2 hydrogen bond donor(s) and 7 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 AB00981566-01?
The CAS number of AB00981566-01 is 757221-03-7.
What is the molecular formula of AB00981566-01?
The molecular formula of AB00981566-01 is C21H22N4O3S3.
What is the molecular weight of AB00981566-01?
The molecular weight of AB00981566-01 is 474.09 g/mol.
Where can I buy AB00981566-01?
You can request a quote for AB00981566-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00981566-01?
Yes, KEHONG BIO provides custom synthesis services for AB00981566-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.