starbld0007745
TL;DR: starbld0007745 (CAS 790715-86-5) is a chemical compound with molecular formula C21H27N3O4S and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
Also Known As: starbld0007745, [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)acetate, 2-((1-Cyanocyclohexyl)(methyl)amino)-2-oxoethyl 2-((2-oxo-2-(p-tolylamino)ethyl)thio)acetate, [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
| Molecular Formula | C21H27N3O4S |
|---|---|
| Molecular Weight | 417.17 g/mol |
| LogP | 2.8948 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.17224 |
| Heavy Atoms | 29 |
| Complexity | 767.12604 |
Chemical Identifiers
| CAS Number | 790715-86-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC(=O)N(C)C2(CCCCC2)C#N |
Product Overview
starbld0007745 (CAS 790715-86-5), with molecular formula C21H27N3O4S and molecular weight 417.17 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate.
Chemical Property Profile of starbld0007745
Property Insights of starbld0007745
The XLogP value of 2.8948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0007745. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0007745. Following Lipinski's Rule of Five, starbld0007745 has 1 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 starbld0007745?
The CAS number of starbld0007745 is 790715-86-5.
What is the molecular formula of starbld0007745?
The molecular formula of starbld0007745 is C21H27N3O4S.
What is the molecular weight of starbld0007745?
The molecular weight of starbld0007745 is 417.17 g/mol.
Where can I buy starbld0007745?
You can request a quote for starbld0007745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0007745?
Yes, KEHONG BIO provides custom synthesis services for starbld0007745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.