BAS 03811574
TL;DR: BAS 03811574 (CAS 433257-99-9) is a chemical compound with molecular formula C19H15ClN2O7 and molecular weight 418.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate
Also Known As: BAS 03811574, (E)-dimethyl 5-(3-(4-chloro-3-nitrophenyl)acrylamido)isophthalate, dimethyl 5-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzene-1,3-dicarboxylate, 5-[3-(4-Chloro-3-nitro-phenyl)-acryloylamino]-isophthalic acid dimethyl ester, dimethyl 5-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate
| Molecular Formula | C19H15ClN2O7 |
|---|---|
| Molecular Weight | 418.06 g/mol |
| LogP | 3.4733 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.0568 |
| Heavy Atoms | 29 |
| Complexity | 983.3624 |
Chemical Identifiers
| CAS Number | 433257-99-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC |
Product Overview
BAS 03811574 (CAS 433257-99-9), with molecular formula C19H15ClN2O7 and molecular weight 418.06 g/mol. IUPAC: dimethyl 5-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of BAS 03811574
Property Insights of BAS 03811574
The XLogP value of 3.4733 indicates that BAS 03811574 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03811574. Following Lipinski's Rule of Five, BAS 03811574 has 1 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 BAS 03811574?
The CAS number of BAS 03811574 is 433257-99-9.
What is the molecular formula of BAS 03811574?
The molecular formula of BAS 03811574 is C19H15ClN2O7.
What is the molecular weight of BAS 03811574?
The molecular weight of BAS 03811574 is 418.06 g/mol.
Where can I buy BAS 03811574?
You can request a quote for BAS 03811574 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03811574?
Yes, KEHONG BIO provides custom synthesis services for BAS 03811574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.