Mct1-IN-2
TL;DR: Mct1-IN-2 (CAS 227321-12-2) is a chemical compound with molecular formula C25H29N3O2S and molecular weight 435.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-hydroxypropylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-one
Also Known As: MCT1-IN-2, nchembio744-comp2, SR 13800, EX-A6469, Pyrrolo[3,4-d]pyridazin-1-one, 2
| Molecular Formula | C25H29N3O2S |
|---|---|
| Molecular Weight | 435.20 g/mol |
| LogP | 4.6095 |
| Topological Polar Surface Area | 60.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.19806 |
| Heavy Atoms | 31 |
| Complexity | 1267.9734 |
Chemical Identifiers
| CAS Number | 227321-12-2 |
|---|---|
| SMILES | CC(C)CC1=NN(C(=O)C2=C(N(C=C12)CC3=CC=CC4=CC=CC=C43)SCCCO)C |
Product Overview
Mct1-IN-2 (CAS 227321-12-2), with molecular formula C25H29N3O2S and molecular weight 435.20 g/mol. IUPAC: 5-(3-hydroxypropylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-one.
Chemical Property Profile of Mct1-IN-2
Property Insights of Mct1-IN-2
The XLogP value of 4.6095 indicates that Mct1-IN-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Mct1-IN-2. Following Lipinski's Rule of Five, Mct1-IN-2 has 1 hydrogen bond donor(s) and 4 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 Mct1-IN-2?
The CAS number of Mct1-IN-2 is 227321-12-2.
What is the molecular formula of Mct1-IN-2?
The molecular formula of Mct1-IN-2 is C25H29N3O2S.
What is the molecular weight of Mct1-IN-2?
The molecular weight of Mct1-IN-2 is 435.20 g/mol.
Where can I buy Mct1-IN-2?
You can request a quote for Mct1-IN-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mct1-IN-2?
Yes, KEHONG BIO provides custom synthesis services for Mct1-IN-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.