BAS 00634233
TL;DR: BAS 00634233 (CAS 299955-26-3) is a chemical compound with molecular formula C25H21BrN2O4S and molecular weight 524.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00634233, (E)-ethyl 2-(3-(5-(4-bromophenyl)furan-2-yl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({(2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{(2E)-3-[5-(4-bromophenyl)(2-furyl)]-2-cyanoprop-2-enoylamino}-4,5,6,7 -tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C25H21BrN2O4S |
|---|---|
| Molecular Weight | 524.04 g/mol |
| LogP | 6.37178 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.0405 |
| Heavy Atoms | 33 |
| Complexity | 1264.5553 |
Chemical Identifiers
| CAS Number | 299955-26-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Br)/C#N |
Product Overview
BAS 00634233 (CAS 299955-26-3), with molecular formula C25H21BrN2O4S and molecular weight 524.04 g/mol. IUPAC: ethyl 2-[[(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00634233
Property Insights of BAS 00634233
The XLogP value of 6.37178 indicates that BAS 00634233 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00634233. Following Lipinski's Rule of Five, BAS 00634233 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00634233?
The CAS number of BAS 00634233 is 299955-26-3.
What is the molecular formula of BAS 00634233?
The molecular formula of BAS 00634233 is C25H21BrN2O4S.
What is the molecular weight of BAS 00634233?
The molecular weight of BAS 00634233 is 524.04 g/mol.
Where can I buy BAS 00634233?
You can request a quote for BAS 00634233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00634233?
Yes, KEHONG BIO provides custom synthesis services for BAS 00634233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.