BAS 00803289
TL;DR: BAS 00803289 (CAS 307339-52-2) is a chemical compound with molecular formula C14H18N2O4S and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate
Also Known As: BAS 00803289, AB00686066-01, methyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate, methyl 4-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoate, F1443-4905
| Molecular Formula | C14H18N2O4S |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.09872 |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 307339-52-2 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N |
| InChIKey | YDSSOOIPPDUIDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BAS 00803289 (CAS 307339-52-2), with molecular formula C14H18N2O4S and molecular weight 310.10 g/mol. IUPAC: methyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate.
Chemical Property Profile of BAS 00803289
Property Insights of BAS 00803289
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00803289. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00803289. Following Lipinski's Rule of Five, BAS 00803289 has 2 hydrogen bond donor(s) and 5 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 00803289?
The CAS number of BAS 00803289 is 307339-52-2.
What is the molecular formula of BAS 00803289?
The molecular formula of BAS 00803289 is C14H18N2O4S.
What is the molecular weight of BAS 00803289?
The molecular weight of BAS 00803289 is 310.10 g/mol.
Where can I buy BAS 00803289?
You can request a quote for BAS 00803289 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00803289?
Yes, KEHONG BIO provides custom synthesis services for BAS 00803289 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.