AS-871/40975090
TL;DR: AS-871/40975090 (CAS 433701-56-5) is a chemical compound with molecular formula C14H17N3O3S2 and molecular weight 339.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-hydroxypropyl)-2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: AS-871/40975090, N-(3-hydroxypropyl)-2-[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, 2-[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide, N-(3-hydroxypropyl)-2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(3-hydroxypropyl)-2-(4-oxo(3,5,6,7-tetrahydrocyclopenta[1,2-d]pyrimidino[4,5 -b]thiophen-2-ylthio))acetamide
| Molecular Formula | C14H17N3O3S2 |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 1.064 |
| Topological Polar Surface Area | 95.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.07114 |
| Heavy Atoms | 22 |
| Complexity | 753.6064 |
Chemical Identifiers
| CAS Number | 433701-56-5 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCC(=O)NCCCO |
Product Overview
AS-871/40975090 (CAS 433701-56-5), with molecular formula C14H17N3O3S2 and molecular weight 339.07 g/mol. IUPAC: N-(3-hydroxypropyl)-2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of AS-871/40975090
Property Insights of AS-871/40975090
The XLogP value of 1.064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/40975090. The TPSA of 95.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/40975090. Following Lipinski's Rule of Five, AS-871/40975090 has 3 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 AS-871/40975090?
The CAS number of AS-871/40975090 is 433701-56-5.
What is the molecular formula of AS-871/40975090?
The molecular formula of AS-871/40975090 is C14H17N3O3S2.
What is the molecular weight of AS-871/40975090?
The molecular weight of AS-871/40975090 is 339.07 g/mol.
Where can I buy AS-871/40975090?
You can request a quote for AS-871/40975090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40975090?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40975090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.