A3102/0131341
TL;DR: A3102/0131341 (CAS 681839-08-7) is a chemical compound with molecular formula C18H29F3N2O4 and molecular weight 394.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-cyclohexylpropanoylamino)-3,3,3-trifluoro-2-(oxolan-2-ylmethylamino)propanoate
Also Known As: A3102/0131341, methyl 2-(3-cyclohexylpropanoylamino)-3,3,3-trifluoro-2-(oxolan-2-ylmethylamino)propanoate, methyl 2-(3-cyclohexylpropanamido)-3,3,3-trifluoro-2-(((tetrahydrofuran-2-yl)methyl)amino)propanoate, METHYL 2-(3-CYCLOHEXYLPROPANAMIDO)-3,3,3-TRIFLUORO-2-{[(OXOLAN-2-YL)METHYL]AMINO}PROPANOATE, methyl N-(3-cyclohexylpropanoyl)-3,3,3-trifluoro-2-[(tetrahydrofuran-2-ylmethyl)amino]alaninate
| Molecular Formula | C18H29F3N2O4 |
|---|---|
| Molecular Weight | 394.21 g/mol |
| LogP | 2.6633 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.20795 |
| Heavy Atoms | 27 |
| Complexity | 503.32544 |
Chemical Identifiers
| CAS Number | 681839-08-7 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NCC1CCCO1)NC(=O)CCC2CCCCC2 |
Product Overview
A3102/0131341 (CAS 681839-08-7), with molecular formula C18H29F3N2O4 and molecular weight 394.21 g/mol. IUPAC: methyl 2-(3-cyclohexylpropanoylamino)-3,3,3-trifluoro-2-(oxolan-2-ylmethylamino)propanoate.
Chemical Property Profile of A3102/0131341
Property Insights of A3102/0131341
The XLogP value of 2.6633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3102/0131341. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for A3102/0131341. Following Lipinski's Rule of Five, A3102/0131341 has 2 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 A3102/0131341?
The CAS number of A3102/0131341 is 681839-08-7.
What is the molecular formula of A3102/0131341?
The molecular formula of A3102/0131341 is C18H29F3N2O4.
What is the molecular weight of A3102/0131341?
The molecular weight of A3102/0131341 is 394.21 g/mol.
Where can I buy A3102/0131341?
You can request a quote for A3102/0131341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3102/0131341?
Yes, KEHONG BIO provides custom synthesis services for A3102/0131341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.