starbld0022335
TL;DR: starbld0022335 (CAS 137987-66-7) is a chemical compound with molecular formula C14H14ClNO4S and molecular weight 327.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-7-chloro-6-formyl-4,5-dihydro-1-benzothiophene-3-carboxylate
Also Known As: starbld0022335, BAS 01022427, Ethyl 2-(acetylamino)-7-chloro-6-formyl-4,5-dihydro-1-benzothiophene-3-carboxylate, Ethyl 2-acetamido-7-chloro-6-formyl-4,5-dihydrobenzo[b]thiophene-3-carboxylate, ethyl 2-acetamido-7-chloro-6-formyl-4,5-dihydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C14H14ClNO4S |
|---|---|
| Molecular Weight | 327.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.0332 |
| Heavy Atoms | 21 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 137987-66-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(=C2Cl)C=O)NC(=O)C |
| InChIKey | ROFXXCJKXJRTHF-UHFFFAOYSA-N |
Product Overview
starbld0022335 (CAS 137987-66-7), with molecular formula C14H14ClNO4S and molecular weight 327.03 g/mol. IUPAC: ethyl 2-acetamido-7-chloro-6-formyl-4,5-dihydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of starbld0022335
Property Insights of starbld0022335
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0022335. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0022335. Following Lipinski's Rule of Five, starbld0022335 has 1 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 starbld0022335?
The CAS number of starbld0022335 is 137987-66-7.
What is the molecular formula of starbld0022335?
The molecular formula of starbld0022335 is C14H14ClNO4S.
What is the molecular weight of starbld0022335?
The molecular weight of starbld0022335 is 327.03 g/mol.
Where can I buy starbld0022335?
You can request a quote for starbld0022335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0022335?
Yes, KEHONG BIO provides custom synthesis services for starbld0022335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.