BAS 00518401
TL;DR: BAS 00518401 (CAS 315712-38-0) is a chemical compound with molecular formula C18H25NO3S and molecular weight 335.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(cyclohexanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00518401, ethyl 2-(cyclohexanecarboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F0862-0864, F1143-4021, ethyl 2-(cyclohexanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H25NO3S |
|---|---|
| Molecular Weight | 335.16 g/mol |
| LogP | 4.3224 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.15552 |
| Heavy Atoms | 23 |
| Complexity | 587.33234 |
Chemical Identifiers
| CAS Number | 315712-38-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCCC3 |
Product Overview
BAS 00518401 (CAS 315712-38-0), with molecular formula C18H25NO3S and molecular weight 335.16 g/mol. IUPAC: ethyl 2-(cyclohexanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00518401
Property Insights of BAS 00518401
The XLogP value of 4.3224 indicates that BAS 00518401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00518401 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00518401 has 1 hydrogen bond donor(s) and 4 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 00518401?
The CAS number of BAS 00518401 is 315712-38-0.
What is the molecular formula of BAS 00518401?
The molecular formula of BAS 00518401 is C18H25NO3S.
What is the molecular weight of BAS 00518401?
The molecular weight of BAS 00518401 is 335.16 g/mol.
Where can I buy BAS 00518401?
You can request a quote for BAS 00518401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00518401?
Yes, KEHONG BIO provides custom synthesis services for BAS 00518401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.