AB00668747-01
TL;DR: AB00668747-01 (CAS 686772-32-7) is a chemical compound with molecular formula C19H19N5O3S3 and molecular weight 461.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: AB00668747-01, F0579-0412, 2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C19H19N5O3S3 |
|---|---|
| Molecular Weight | 461.06 g/mol |
| LogP | 3.17012 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.065 |
| Heavy Atoms | 30 |
| Complexity | 1127.434 |
Chemical Identifiers
| CAS Number | 686772-32-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=NN=C(S4)C |
Product Overview
AB00668747-01 (CAS 686772-32-7), with molecular formula C19H19N5O3S3 and molecular weight 461.06 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of AB00668747-01
Property Insights of AB00668747-01
The XLogP value of 3.17012 indicates that AB00668747-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668747-01. Following Lipinski's Rule of Five, AB00668747-01 has 1 hydrogen bond donor(s) and 9 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 AB00668747-01?
The CAS number of AB00668747-01 is 686772-32-7.
What is the molecular formula of AB00668747-01?
The molecular formula of AB00668747-01 is C19H19N5O3S3.
What is the molecular weight of AB00668747-01?
The molecular weight of AB00668747-01 is 461.06 g/mol.
Where can I buy AB00668747-01?
You can request a quote for AB00668747-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668747-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668747-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.