BIM-0031530.P001
TL;DR: BIM-0031530.P001 (CAS 329795-27-9) is a chemical compound with molecular formula C18H23NO5S and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: BIM-0031530.P001, (2E)-4-{[6-tert-butyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid, (E)-4-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobut-2-enoic acid, (E)-4-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid, 4-{[6-tert-butyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxo-2-butenoic acid
| Molecular Formula | C18H23NO5S |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 3.265 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.1297 |
| Heavy Atoms | 25 |
| Complexity | 726.56024 |
Chemical Identifiers
| CAS Number | 329795-27-9 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)/C=C/C(=O)O |
Product Overview
BIM-0031530.P001 (CAS 329795-27-9), with molecular formula C18H23NO5S and molecular weight 365.13 g/mol. IUPAC: (E)-4-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of BIM-0031530.P001
Property Insights of BIM-0031530.P001
The XLogP value of 3.265 indicates that BIM-0031530.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0031530.P001. Following Lipinski's Rule of Five, BIM-0031530.P001 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 BIM-0031530.P001?
The CAS number of BIM-0031530.P001 is 329795-27-9.
What is the molecular formula of BIM-0031530.P001?
The molecular formula of BIM-0031530.P001 is C18H23NO5S.
What is the molecular weight of BIM-0031530.P001?
The molecular weight of BIM-0031530.P001 is 365.13 g/mol.
Where can I buy BIM-0031530.P001?
You can request a quote for BIM-0031530.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0031530.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0031530.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.