SDCCGSBI-0658261.P001
TL;DR: SDCCGSBI-0658261.P001 (CAS 317844-72-7) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-cyano-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
Also Known As: SDCCGSBI-0658261.P001, AE-848/11419251, methyl 2-[[3-cyano-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate, 2-[[3-cyano-4-(5-methyl-2-furanyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid methyl ester, methyl {[3-cyano-4-(5-methyl-2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 317844-72-7 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=C(C(=NC3=C2CCCC3)SCC(=O)OC)C#N |
| InChIKey | JGDDLGRMLWKQSF-UHFFFAOYSA-N |
Product Overview
SDCCGSBI-0658261.P001 (CAS 317844-72-7), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: methyl 2-[[3-cyano-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of SDCCGSBI-0658261.P001
Property Insights of SDCCGSBI-0658261.P001
The XLogP value of 3.7 indicates that SDCCGSBI-0658261.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for SDCCGSBI-0658261.P001. Following Lipinski's Rule of Five, SDCCGSBI-0658261.P001 has 0 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 SDCCGSBI-0658261.P001?
The CAS number of SDCCGSBI-0658261.P001 is 317844-72-7.
What is the molecular formula of SDCCGSBI-0658261.P001?
The molecular formula of SDCCGSBI-0658261.P001 is C18H18N2O3S.
What is the molecular weight of SDCCGSBI-0658261.P001?
The molecular weight of SDCCGSBI-0658261.P001 is 342.10 g/mol.
Where can I buy SDCCGSBI-0658261.P001?
You can request a quote for SDCCGSBI-0658261.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SDCCGSBI-0658261.P001?
Yes, KEHONG BIO provides custom synthesis services for SDCCGSBI-0658261.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.