BAS 02916995
TL;DR: BAS 02916995 (CAS 425630-10-0) is a chemical compound with molecular formula C18H22N2O6S2 and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
Also Known As: BAS 02916995, AE-641/15338041, methyl 6-[2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate, METHYL 6-({[3-(METHOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]CARBAMOYL}METHYL)-5-OXOTHIOMORPHOLINE-3-CARBOXYLATE, methyl 6-(2-((3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-oxoethyl)-5-oxothiomorpholine-3-carboxylate
| Molecular Formula | C18H22N2O6S2 |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 1.5153 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.09192 |
| Heavy Atoms | 28 |
| Complexity | 806.24164 |
Chemical Identifiers
| CAS Number | 425630-10-0 |
|---|---|
| SMILES | COC(=O)C1CSC(C(=O)N1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
BAS 02916995 (CAS 425630-10-0), with molecular formula C18H22N2O6S2 and molecular weight 426.09 g/mol. IUPAC: methyl 6-[2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate.
Chemical Property Profile of BAS 02916995
Property Insights of BAS 02916995
The XLogP value of 1.5153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02916995. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02916995. Following Lipinski's Rule of Five, BAS 02916995 has 2 hydrogen bond donor(s) and 8 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 02916995?
The CAS number of BAS 02916995 is 425630-10-0.
What is the molecular formula of BAS 02916995?
The molecular formula of BAS 02916995 is C18H22N2O6S2.
What is the molecular weight of BAS 02916995?
The molecular weight of BAS 02916995 is 426.09 g/mol.
Where can I buy BAS 02916995?
You can request a quote for BAS 02916995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02916995?
Yes, KEHONG BIO provides custom synthesis services for BAS 02916995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.