ChemDiv2_000999
TL;DR: ChemDiv2_000999 (CAS 302804-12-2) is a chemical compound with molecular formula C25H19N7O2S and molecular weight 481.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-7-(1,3-benzothiazol-2-yl)-5-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Also Known As: ChemDiv2_000999, F0920-1851, 6-amino-7-(1,3-benzothiazol-2-yl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-7-(1,3-benzothiazol-2-yl)-5-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-7-(benzo[d]thiazol-2-yl)-5-(3,4-dimethoxyphenethyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
| Molecular Formula | C25H19N7O2S |
|---|---|
| Molecular Weight | 481.13 g/mol |
| LogP | 4.29346 |
| Topological Polar Surface Area | 135.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.13208 |
| Heavy Atoms | 35 |
| Complexity | 1640.7681 |
Chemical Identifiers
| CAS Number | 302804-12-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=C(C3=NC(=C(N=C32)C#N)C#N)C4=NC5=CC=CC=C5S4)N)OC |
Product Overview
ChemDiv2_000999 (CAS 302804-12-2), with molecular formula C25H19N7O2S and molecular weight 481.13 g/mol. IUPAC: 6-amino-7-(1,3-benzothiazol-2-yl)-5-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
Chemical Property Profile of ChemDiv2_000999
Property Insights of ChemDiv2_000999
The XLogP value of 4.29346 indicates that ChemDiv2_000999 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_000999. Following Lipinski's Rule of Five, ChemDiv2_000999 has 1 hydrogen bond donor(s) and 9 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 ChemDiv2_000999?
The CAS number of ChemDiv2_000999 is 302804-12-2.
What is the molecular formula of ChemDiv2_000999?
The molecular formula of ChemDiv2_000999 is C25H19N7O2S.
What is the molecular weight of ChemDiv2_000999?
The molecular weight of ChemDiv2_000999 is 481.13 g/mol.
Where can I buy ChemDiv2_000999?
You can request a quote for ChemDiv2_000999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_000999?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_000999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.