BAS 00836297
TL;DR: BAS 00836297 (CAS 314282-58-1) is a chemical compound with molecular formula C19H18N2O5S and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00836297, BIM-0015076.P001, F1443-5225, (E)-methyl 2-(3-(3-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-[(2E)-3-(3-NITROPHENYL)PROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C19H18N2O5S |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 3.9736 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.09363 |
| Heavy Atoms | 27 |
| Complexity | 932.1764 |
Chemical Identifiers
| CAS Number | 314282-58-1 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
BAS 00836297 (CAS 314282-58-1), with molecular formula C19H18N2O5S and molecular weight 386.09 g/mol. IUPAC: methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00836297
Property Insights of BAS 00836297
The XLogP value of 3.9736 indicates that BAS 00836297 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00836297. Following Lipinski's Rule of Five, BAS 00836297 has 1 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 00836297?
The CAS number of BAS 00836297 is 314282-58-1.
What is the molecular formula of BAS 00836297?
The molecular formula of BAS 00836297 is C19H18N2O5S.
What is the molecular weight of BAS 00836297?
The molecular weight of BAS 00836297 is 386.09 g/mol.
Where can I buy BAS 00836297?
You can request a quote for BAS 00836297 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00836297?
Yes, KEHONG BIO provides custom synthesis services for BAS 00836297 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.