BAS 07100345
TL;DR: BAS 07100345 (CAS 701217-07-4) is a chemical compound with molecular formula C15H21N5O4S and molecular weight 367.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
Also Known As: BAS 07100345, ethyl 4-amino-2-{[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate, ethyl 4-amino-2-({2-[4-(aminocarbonyl)piperidino]-2-oxoethyl}sulfanyl)-5-pyrimidinecarboxylate, ethyl 4-amino-2-((2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl)thio)pyrimidine-5-carboxylate, ethyl 4-amino-2-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
| Molecular Formula | C15H21N5O4S |
|---|---|
| Molecular Weight | 367.13 g/mol |
| LogP | 0.0515 |
| Topological Polar Surface Area | 141.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.13144 |
| Heavy Atoms | 25 |
| Complexity | 661.32184 |
Chemical Identifiers
| CAS Number | 701217-07-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCC(CC2)C(=O)N |
Product Overview
BAS 07100345 (CAS 701217-07-4), with molecular formula C15H21N5O4S and molecular weight 367.13 g/mol. IUPAC: ethyl 4-amino-2-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of BAS 07100345
Property Insights of BAS 07100345
The XLogP value of 0.0515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07100345. The TPSA of 141.5 Ų indicates high polarity, suggesting BAS 07100345 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 07100345 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 07100345?
The CAS number of BAS 07100345 is 701217-07-4.
What is the molecular formula of BAS 07100345?
The molecular formula of BAS 07100345 is C15H21N5O4S.
What is the molecular weight of BAS 07100345?
The molecular weight of BAS 07100345 is 367.13 g/mol.
Where can I buy BAS 07100345?
You can request a quote for BAS 07100345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07100345?
Yes, KEHONG BIO provides custom synthesis services for BAS 07100345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.