C19H18ClN5OS2
TL;DR: C19H18ClN5OS2 (CAS 577695-05-7) is a chemical compound with molecular formula C19H18ClN5OS2 and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chlorophenyl)methylsulfanyl]-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
Also Known As: 3-((2-chlorobenzyl)thio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine, 3-[(2-chlorobenzyl)sulfanyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
| Molecular Formula | C19H18ClN5OS2 |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 4.7182 |
| Topological Polar Surface Area | 78.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.06412 |
| Heavy Atoms | 28 |
| Complexity | 1216.201 |
Chemical Identifiers
| CAS Number | 577695-05-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)N)SCC5=CC=CC=C5Cl)C |
Product Overview
C19H18ClN5OS2 (CAS 577695-05-7), with molecular formula C19H18ClN5OS2 and molecular weight 431.06 g/mol. IUPAC: 5-[(2-chlorophenyl)methylsulfanyl]-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine.
Chemical Property Profile of C19H18ClN5OS2
Property Insights of C19H18ClN5OS2
The XLogP value of 4.7182 indicates that C19H18ClN5OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.33 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H18ClN5OS2. Following Lipinski's Rule of Five, C19H18ClN5OS2 has 1 hydrogen bond donor(s) and 7 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 C19H18ClN5OS2?
The CAS number of C19H18ClN5OS2 is 577695-05-7.
What is the molecular formula of C19H18ClN5OS2?
The molecular formula of C19H18ClN5OS2 is C19H18ClN5OS2.
What is the molecular weight of C19H18ClN5OS2?
The molecular weight of C19H18ClN5OS2 is 431.06 g/mol.
Where can I buy C19H18ClN5OS2?
You can request a quote for C19H18ClN5OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H18ClN5OS2?
Yes, KEHONG BIO provides custom synthesis services for C19H18ClN5OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.