Andrographidine C
TL;DR: Andrographidine C (CAS 113963-39-6) is a chemical compound with molecular formula C13H15N3O3S2 and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(ethoxymethylideneamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: Andrographidine C, ethyl 5-(ethoxymethylideneamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C13H15N3O3S2 |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 3.2862 |
| Topological Polar Surface Area | 73.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.05548 |
| Heavy Atoms | 21 |
| Complexity | 669.9704 |
Chemical Identifiers
| CAS Number | 113963-39-6 |
|---|---|
| SMILES | CCOC=NC1=C(SC2=NC(=NC=C12)SC)C(=O)OCC |
Product Overview
Andrographidine C (CAS 113963-39-6), with molecular formula C13H15N3O3S2 and molecular weight 325.06 g/mol. IUPAC: ethyl 5-(ethoxymethylideneamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of Andrographidine C
Property Insights of Andrographidine C
The XLogP value of 3.2862 indicates that Andrographidine C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Andrographidine C. Following Lipinski's Rule of Five, Andrographidine C has 0 hydrogen bond donor(s) and 8 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 Andrographidine C?
The CAS number of Andrographidine C is 113963-39-6.
What is the molecular formula of Andrographidine C?
The molecular formula of Andrographidine C is C13H15N3O3S2.
What is the molecular weight of Andrographidine C?
The molecular weight of Andrographidine C is 325.06 g/mol.
Where can I buy Andrographidine C?
You can request a quote for Andrographidine C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Andrographidine C?
Yes, KEHONG BIO provides custom synthesis services for Andrographidine C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.