Cambridge id 6982087
TL;DR: Cambridge id 6982087 (CAS 77995-51-8) is a chemical compound with molecular formula C13H14N4S and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 2,5-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2,5-dimethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, A2917/0122920, 2,5-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4, Cyclopenta[c]fluorene, 2,4-dimethyl-7,8,9,10-tetrahydro-6-thia-1,3,3a,5-tetraaza-
| Molecular Formula | C13H14N4S |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.0939 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 77995-51-8 |
|---|---|
| SMILES | CC1=NN2C(=NC3=C(C2=N1)C4=C(S3)CCCC4)C |
| InChIKey | LCPGIAFGNMNCJU-UHFFFAOYSA-N |
Product Overview
Cambridge id 6982087 (CAS 77995-51-8), with molecular formula C13H14N4S and molecular weight 258.09 g/mol. IUPAC: 4,7-dimethyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of Cambridge id 6982087
Property Insights of Cambridge id 6982087
The XLogP value of 3.5 indicates that Cambridge id 6982087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 6982087. Following Lipinski's Rule of Five, Cambridge id 6982087 has 0 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 Cambridge id 6982087?
The CAS number of Cambridge id 6982087 is 77995-51-8.
What is the molecular formula of Cambridge id 6982087?
The molecular formula of Cambridge id 6982087 is C13H14N4S.
What is the molecular weight of Cambridge id 6982087?
The molecular weight of Cambridge id 6982087 is 258.09 g/mol.
Where can I buy Cambridge id 6982087?
You can request a quote for Cambridge id 6982087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 6982087?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 6982087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.