cGAS-IN-1
TL;DR: cGAS-IN-1 (CAS 858770-07-7) is a chemical compound with molecular formula C18H19NO8 and molecular weight 377.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[carboxymethyl-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]amino]acetic acid
Also Known As: cGAS-IN-1, EiM07-28536, compound 20 [PMID: 37666112], C20 [PMID: 37666112], Y041-1875
| Molecular Formula | C18H19NO8 |
|---|---|
| Molecular Weight | 377.11 g/mol |
| LogP | 1.04042 |
| Topological Polar Surface Area | 134.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.11105 |
| Heavy Atoms | 27 |
| Complexity | 930.2626 |
Chemical Identifiers
| CAS Number | 858770-07-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N(CC(=O)O)CC(=O)O |
Product Overview
cGAS-IN-1 (CAS 858770-07-7), with molecular formula C18H19NO8 and molecular weight 377.11 g/mol. IUPAC: 2-[carboxymethyl-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]amino]acetic acid.
Chemical Property Profile of cGAS-IN-1
Property Insights of cGAS-IN-1
The XLogP value of 1.04042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cGAS-IN-1. The TPSA of 134.35 Ų falls within the moderate polarity range, balancing permeability and solubility for cGAS-IN-1. Following Lipinski's Rule of Five, cGAS-IN-1 has 2 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 cGAS-IN-1?
The CAS number of cGAS-IN-1 is 858770-07-7.
What is the molecular formula of cGAS-IN-1?
The molecular formula of cGAS-IN-1 is C18H19NO8.
What is the molecular weight of cGAS-IN-1?
The molecular weight of cGAS-IN-1 is 377.11 g/mol.
Where can I buy cGAS-IN-1?
You can request a quote for cGAS-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cGAS-IN-1?
Yes, KEHONG BIO provides custom synthesis services for cGAS-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.