F1440-0031
TL;DR: F1440-0031 (CAS 612802-50-3) is a chemical compound with molecular formula C21H29N3O2S2 and molecular weight 419.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-4-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanamide
Also Known As: F1440-0031, AF-399/41945561, N-cyclohexyl-4-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanamide, 4-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-cyclohexylbutanamide, N-cyclohexyl-4-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}butanamide
| Molecular Formula | C21H29N3O2S2 |
|---|---|
| Molecular Weight | 419.17 g/mol |
| LogP | 4.58204 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.1701 |
| Heavy Atoms | 28 |
| Complexity | 910.49194 |
Chemical Identifiers
| CAS Number | 612802-50-3 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCCCC(=O)NC3CCCCC3)CC=C)C |
Product Overview
F1440-0031 (CAS 612802-50-3), with molecular formula C21H29N3O2S2 and molecular weight 419.17 g/mol. IUPAC: N-cyclohexyl-4-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanamide.
Chemical Property Profile of F1440-0031
Property Insights of F1440-0031
The XLogP value of 4.58204 indicates that F1440-0031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for F1440-0031. Following Lipinski's Rule of Five, F1440-0031 has 1 hydrogen bond donor(s) and 5 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 F1440-0031?
The CAS number of F1440-0031 is 612802-50-3.
What is the molecular formula of F1440-0031?
The molecular formula of F1440-0031 is C21H29N3O2S2.
What is the molecular weight of F1440-0031?
The molecular weight of F1440-0031 is 419.17 g/mol.
Where can I buy F1440-0031?
You can request a quote for F1440-0031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1440-0031?
Yes, KEHONG BIO provides custom synthesis services for F1440-0031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.