BAS 07228965
TL;DR: BAS 07228965 (CAS 701220-34-0) is a chemical compound with molecular formula C18H22ClN5O4S and molecular weight 439.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-5-[[2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 07228965, BRD-K61769901-001-07-6, methyl 2-chloro-5-[({[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 2-chloro-5-(2-((4-methyl-5-(morpholinomethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 2-chloro-5-[({[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]benzoate
| Molecular Formula | C18H22ClN5O4S |
|---|---|
| Molecular Weight | 439.11 g/mol |
| LogP | 1.8181 |
| Topological Polar Surface Area | 98.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.1081 |
| Heavy Atoms | 29 |
| Complexity | 885.1316 |
Chemical Identifiers
| CAS Number | 701220-34-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)CN3CCOCC3 |
Product Overview
BAS 07228965 (CAS 701220-34-0), with molecular formula C18H22ClN5O4S and molecular weight 439.11 g/mol. IUPAC: methyl 2-chloro-5-[[2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 07228965
Property Insights of BAS 07228965
The XLogP value of 1.8181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07228965. The TPSA of 98.58 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07228965. Following Lipinski's Rule of Five, BAS 07228965 has 1 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 07228965?
The CAS number of BAS 07228965 is 701220-34-0.
What is the molecular formula of BAS 07228965?
The molecular formula of BAS 07228965 is C18H22ClN5O4S.
What is the molecular weight of BAS 07228965?
The molecular weight of BAS 07228965 is 439.11 g/mol.
Where can I buy BAS 07228965?
You can request a quote for BAS 07228965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07228965?
Yes, KEHONG BIO provides custom synthesis services for BAS 07228965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.