SDCCGMLS-0037110.P002
TL;DR: SDCCGMLS-0037110.P002 (CAS 774589-36-5) is a chemical compound with molecular formula C12H14N4OS and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
Also Known As: SDCCGMLS-0037110.P002, N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide, 4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl-N-(1,2,4-triazol-4-yl)carbo xamide, N-(4H-1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide, N-4H-1,2,4-triazol-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
| Molecular Formula | C12H14N4OS |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 1.9924 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.08884 |
| Heavy Atoms | 18 |
| Complexity | 522.93335 |
Chemical Identifiers
| CAS Number | 774589-36-5 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2)C(=O)NN3C=NN=C3 |
Product Overview
SDCCGMLS-0037110.P002 (CAS 774589-36-5), with molecular formula C12H14N4OS and molecular weight 262.09 g/mol. IUPAC: N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.
Chemical Property Profile of SDCCGMLS-0037110.P002
Property Insights of SDCCGMLS-0037110.P002
The XLogP value of 1.9924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SDCCGMLS-0037110.P002. With a topological polar surface area (TPSA) of 59.81 Ų, SDCCGMLS-0037110.P002 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SDCCGMLS-0037110.P002 has 1 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 SDCCGMLS-0037110.P002?
The CAS number of SDCCGMLS-0037110.P002 is 774589-36-5.
What is the molecular formula of SDCCGMLS-0037110.P002?
The molecular formula of SDCCGMLS-0037110.P002 is C12H14N4OS.
What is the molecular weight of SDCCGMLS-0037110.P002?
The molecular weight of SDCCGMLS-0037110.P002 is 262.09 g/mol.
Where can I buy SDCCGMLS-0037110.P002?
You can request a quote for SDCCGMLS-0037110.P002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SDCCGMLS-0037110.P002?
Yes, KEHONG BIO provides custom synthesis services for SDCCGMLS-0037110.P002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.