![2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid structure](/static/products/6152/615282-41-2.webp)
2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid
TL;DR: 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid (CAS 615282-41-2) is a chemical compound with molecular formula C14H13NO6S and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]acetic acid
Also Known As: 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid, (7,8-Dimethoxy-1-oxo-1H-isothiochromene-3-carbonyl)glycine, 2-[(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]acetic acid, 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]aceticacid, A3771/0159982
| Molecular Formula | C14H13NO6S |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.04636 |
| Heavy Atoms | 22 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 615282-41-2 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NCC(=O)O)OC |
| InChIKey | RHPVPBNKURDNMV-UHFFFAOYSA-N |
Product Overview
2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid (CAS 615282-41-2), with molecular formula C14H13NO6S and molecular weight 323.05 g/mol. IUPAC: 2-[(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]acetic acid.
Chemical Property Profile of 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid
Property Insights of 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid. Following Lipinski's Rule of Five, 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid has 2 hydrogen bond donor(s) and 7 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 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid?
The CAS number of 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid is 615282-41-2.
What is the molecular formula of 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid?
The molecular formula of 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid is C14H13NO6S.
What is the molecular weight of 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid?
The molecular weight of 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid is 323.05 g/mol.
Where can I buy 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid?
You can request a quote for 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)formamido]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.