BAS 00791860
TL;DR: BAS 00791860 (CAS 324044-84-0) is a chemical compound with molecular formula C18H17NO7S and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid
Also Known As: BAS 00791860, AB00684102-01, F0238-0039, (2E)-3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-methoxyphenyl)prop-2-enoic acid, (E)-3-(3-(N-(benzo[d][1,3]dioxol-5-ylmethyl)sulfamoyl)-4-methoxyphenyl)acrylic acid
| Molecular Formula | C18H17NO7S |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 2.0002 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.07257 |
| Heavy Atoms | 27 |
| Complexity | 998.7649 |
Chemical Identifiers
| CAS Number | 324044-84-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
BAS 00791860 (CAS 324044-84-0), with molecular formula C18H17NO7S and molecular weight 391.07 g/mol. IUPAC: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of BAS 00791860
Property Insights of BAS 00791860
The XLogP value of 2.0002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00791860. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00791860. Following Lipinski's Rule of Five, BAS 00791860 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 BAS 00791860?
The CAS number of BAS 00791860 is 324044-84-0.
What is the molecular formula of BAS 00791860?
The molecular formula of BAS 00791860 is C18H17NO7S.
What is the molecular weight of BAS 00791860?
The molecular weight of BAS 00791860 is 391.07 g/mol.
Where can I buy BAS 00791860?
You can request a quote for BAS 00791860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00791860?
Yes, KEHONG BIO provides custom synthesis services for BAS 00791860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.