starbld0038415
TL;DR: starbld0038415 (CAS 109164-45-6) is a chemical compound with molecular formula C14H17NO5S and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: starbld0038415, BAS 03381079, 4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid, AH-034/33960054, 3-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}propanoic acid
| Molecular Formula | C14H17NO5S |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.08273 |
| Heavy Atoms | 21 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 109164-45-6 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC(=O)O |
| InChIKey | PKDXWVDJPOIGCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
starbld0038415 (CAS 109164-45-6), with molecular formula C14H17NO5S and molecular weight 311.08 g/mol. IUPAC: 4-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of starbld0038415
Property Insights of starbld0038415
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0038415. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0038415. Following Lipinski's Rule of Five, starbld0038415 has 2 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 starbld0038415?
The CAS number of starbld0038415 is 109164-45-6.
What is the molecular formula of starbld0038415?
The molecular formula of starbld0038415 is C14H17NO5S.
What is the molecular weight of starbld0038415?
The molecular weight of starbld0038415 is 311.08 g/mol.
Where can I buy starbld0038415?
You can request a quote for starbld0038415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0038415?
Yes, KEHONG BIO provides custom synthesis services for starbld0038415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.