9P-042
TL;DR: 9P-042 (CAS 1026783-01-6) is a chemical compound with molecular formula C21H28N2O6S and molecular weight 436.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: 9P-042, ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]sulfanyl}propanoate, ethyl 3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-{[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl]sulfanyl}propanoate, ethyl2-{[(tert-butoxy)carbonyl]amino}-3-{[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl]sulfanyl}propanoate
| Molecular Formula | C21H28N2O6S |
|---|---|
| Molecular Weight | 436.17 g/mol |
| LogP | 2.8623 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 436.1668 |
| Heavy Atoms | 30 |
| Complexity | 769.93146 |
Chemical Identifiers
| CAS Number | 1026783-01-6 |
|---|---|
| SMILES | CCOC(=O)C(CSCCCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)OC(C)(C)C |
Product Overview
9P-042 (CAS 1026783-01-6), with molecular formula C21H28N2O6S and molecular weight 436.17 g/mol. IUPAC: ethyl 3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of 9P-042
Property Insights of 9P-042
The XLogP value of 2.8623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9P-042. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 9P-042. Following Lipinski's Rule of Five, 9P-042 has 1 hydrogen bond donor(s) and 7 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 9P-042?
The CAS number of 9P-042 is 1026783-01-6.
What is the molecular formula of 9P-042?
The molecular formula of 9P-042 is C21H28N2O6S.
What is the molecular weight of 9P-042?
The molecular weight of 9P-042 is 436.17 g/mol.
Where can I buy 9P-042?
You can request a quote for 9P-042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9P-042?
Yes, KEHONG BIO provides custom synthesis services for 9P-042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.