BAS 00331748
TL;DR: BAS 00331748 (CAS 331004-59-2) is a chemical compound with molecular formula C23H23N5O6S2 and molecular weight 529.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethoxyphenyl)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
Also Known As: BAS 00331748, (E)-3-(3,4-dimethoxyphenyl)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide, (2E)-3-(3,4-dimethoxyphenyl)-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide, (E)-3-(3,4-dimethoxyphenyl)-N-((4-(N-(6-methoxypyrimidin-4-yl)sulfamoyl)phenyl)carbamothioyl)acrylamide, (E)-3-(3,4-dimethoxyphenyl)-N-[[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-propenamide
| Molecular Formula | C23H23N5O6S2 |
|---|---|
| Molecular Weight | 529.11 g/mol |
| LogP | 2.8296 |
| Topological Polar Surface Area | 140.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.10895 |
| Heavy Atoms | 36 |
| Complexity | 1377.9966 |
Chemical Identifiers
| CAS Number | 331004-59-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC=N3)OC)OC |
Product Overview
BAS 00331748 (CAS 331004-59-2), with molecular formula C23H23N5O6S2 and molecular weight 529.11 g/mol. IUPAC: (E)-3-(3,4-dimethoxyphenyl)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of BAS 00331748
Property Insights of BAS 00331748
The XLogP value of 2.8296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00331748. The TPSA of 140.77 Ų indicates high polarity, suggesting BAS 00331748 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00331748 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00331748?
The CAS number of BAS 00331748 is 331004-59-2.
What is the molecular formula of BAS 00331748?
The molecular formula of BAS 00331748 is C23H23N5O6S2.
What is the molecular weight of BAS 00331748?
The molecular weight of BAS 00331748 is 529.11 g/mol.
Where can I buy BAS 00331748?
You can request a quote for BAS 00331748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331748?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.