BAS 00406502
TL;DR: BAS 00406502 (CAS 358731-38-1) is a chemical compound with molecular formula C16H13NO6 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-(hydroxymethyl)-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]benzoic acid
Also Known As: BAS 00406502, 3-[1,3,3a,4,7,7a-Hexahydro-4-(hydroxymethyl)-1,3-dioxo-4,7-epoxy-2H-isoindol-2-yl]benzoic acid, 3-[4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoic acid, 3-[7-(hydroxymethyl)-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]benzoic acid, 3-[1-(HYDROXYMETHYL)-3,5-DIOXO-10-OXA-4-AZATRICYCLO[5.2.1.0(2),?]DEC-8-EN-4-YL]BENZOIC ACID
| Molecular Formula | C16H13NO6 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 0.1901 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.07428 |
| Heavy Atoms | 23 |
| Complexity | 771.58887 |
Chemical Identifiers
| CAS Number | 358731-38-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CO)C(=O)O |
Product Overview
BAS 00406502 (CAS 358731-38-1), with molecular formula C16H13NO6 and molecular weight 315.07 g/mol. IUPAC: 3-[7-(hydroxymethyl)-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]benzoic acid.
Chemical Property Profile of BAS 00406502
Property Insights of BAS 00406502
The XLogP value of 0.1901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00406502. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00406502. Following Lipinski's Rule of Five, BAS 00406502 has 2 hydrogen bond donor(s) and 5 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 BAS 00406502?
The CAS number of BAS 00406502 is 358731-38-1.
What is the molecular formula of BAS 00406502?
The molecular formula of BAS 00406502 is C16H13NO6.
What is the molecular weight of BAS 00406502?
The molecular weight of BAS 00406502 is 315.07 g/mol.
Where can I buy BAS 00406502?
You can request a quote for BAS 00406502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00406502?
Yes, KEHONG BIO provides custom synthesis services for BAS 00406502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.