BAS 00443357
TL;DR: BAS 00443357 (CAS 314022-30-5) is a chemical compound with molecular formula C23H31NO3S and molecular weight 401.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(adamantane-1-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00443357, ethyl 2-(adamantane-1-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-[(1-adamantylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(1-adamantoylamino)-6-methyl-, ethyl ester, ETHYL 2-(ADAMANTANE-1-AMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C23H31NO3S |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.20245 |
| Heavy Atoms | 28 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 314022-30-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C34CC5CC(C3)CC(C5)C4 |
| InChIKey | JBVMWQGUBAHNJH-UHFFFAOYSA-N |
Product Overview
BAS 00443357 (CAS 314022-30-5), with molecular formula C23H31NO3S and molecular weight 401.20 g/mol. IUPAC: ethyl 2-(adamantane-1-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00443357
Property Insights of BAS 00443357
The XLogP value of 6.1 indicates that BAS 00443357 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00443357. Following Lipinski's Rule of Five, BAS 00443357 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00443357?
The CAS number of BAS 00443357 is 314022-30-5.
What is the molecular formula of BAS 00443357?
The molecular formula of BAS 00443357 is C23H31NO3S.
What is the molecular weight of BAS 00443357?
The molecular weight of BAS 00443357 is 401.20 g/mol.
Where can I buy BAS 00443357?
You can request a quote for BAS 00443357 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00443357?
Yes, KEHONG BIO provides custom synthesis services for BAS 00443357 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.