F1440-0041
TL;DR: F1440-0041 (CAS 647819-58-7) is a chemical compound with molecular formula C28H25N7O3S3 and molecular weight 603.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F1440-0041, methyl 2-(2-((5-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 2-[2-({5-[({12-amino-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-10-yl}sulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate, methyl 2-({[(5-{[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, methyl 2-(2-{5-[(4-amino(5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiop hen-2-ylthio))methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetylamino)benzoate
| Molecular Formula | C28H25N7O3S3 |
|---|---|
| Molecular Weight | 603.12 g/mol |
| LogP | 5.1526 |
| Topological Polar Surface Area | 137.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 603.1181 |
| Heavy Atoms | 41 |
| Complexity | 1754.0087 |
Chemical Identifiers
| CAS Number | 647819-58-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC(=C5C6=C(CCC6)SC5=N4)N |
Product Overview
F1440-0041 (CAS 647819-58-7), with molecular formula C28H25N7O3S3 and molecular weight 603.12 g/mol. IUPAC: methyl 2-[[2-[[5-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F1440-0041
Property Insights of F1440-0041
The XLogP value of 5.1526 indicates that F1440-0041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F1440-0041. Following Lipinski's Rule of Five, F1440-0041 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1440-0041?
The CAS number of F1440-0041 is 647819-58-7.
What is the molecular formula of F1440-0041?
The molecular formula of F1440-0041 is C28H25N7O3S3.
What is the molecular weight of F1440-0041?
The molecular weight of F1440-0041 is 603.12 g/mol.
Where can I buy F1440-0041?
You can request a quote for F1440-0041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1440-0041?
Yes, KEHONG BIO provides custom synthesis services for F1440-0041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.