Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl-
TL;DR: Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl- (CAS 50835-99-9) is a chemical compound with molecular formula C14H12O4 and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylbenzo[f][1,3]benzodioxol-2-yl)acetic acid
Also Known As: 2-Methylnaphtho(2,3-d)-1,3-dioxole-2-acetic acid, 3-isocyanatopropionic acid methyl ester, NAPHTHO(2,3-d)-1,3-DIOXOLE-2-ACETIC ACID, 2-METHYL-, 2-Methylnaphtho[2,3-d]-1,3-dioxole-2-acetic acid, 2-(2-methylbenzo[f][1,3]benzodioxol-2-yl)acetic acid
| Molecular Formula | C14H12O4 |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.07356 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 50835-99-9 |
|---|---|
| SMILES | CC1(OC2=CC3=CC=CC=C3C=C2O1)CC(=O)O |
| InChIKey | RVGMFKLEXMKLDX-UHFFFAOYSA-N |
Product Overview
Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl- (CAS 50835-99-9), with molecular formula C14H12O4 and molecular weight 244.07 g/mol. IUPAC: 2-(2-methylbenzo[f][1,3]benzodioxol-2-yl)acetic acid.
Chemical Property Profile of Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl-
Property Insights of Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl-. With a topological polar surface area (TPSA) of 55.8 Ų, Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl- 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 Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl-?
The CAS number of Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl- is 50835-99-9.
What is the molecular formula of Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl-?
The molecular formula of Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl- is C14H12O4.
What is the molecular weight of Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl-?
The molecular weight of Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl- is 244.07 g/mol.
Where can I buy Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl-?
You can request a quote for Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Naphtho(2,3-d)-1,3-dioxole-2-acetic acid, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.