NCI60_001413
TL;DR: NCI60_001413 (CAS 18522-01-5) is a chemical compound with molecular formula C15H23NS2 and molecular weight 281.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[1,5,6,7,8,9-hexahydrocyclohepta[d][1,3]thiazine-2,1'-cycloheptane]-4-thione
Also Known As: NCI60_001413, 1',5',6',7',8',9'-Hexahydro-spiro(cycloheptane-1,2'(4'H)-cyclohepta(d)(1,3)thiazine)-4'-thione, (Spiro(cycloheptane-1,2'(4'H)-cyclohepta(d)(1,3)thiazine)4'-thione,) 1',5',6',7',8',9'-hexahydro-, spiro[1,5,6,7,8,9-hexahydrocyclohepta[d][1,3]thiazine-2,1'-c, spiro[1,5,6,7,8,9-hexahydrocyclohepta[d][1,3]thiazine-2,1'-cycloheptane]-4-thione
| Molecular Formula | C15H23NS2 |
|---|---|
| Molecular Weight | 281.13 g/mol |
| LogP | 4.9189 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.1272 |
| Heavy Atoms | 18 |
| Complexity | 364.68988 |
Chemical Identifiers
| CAS Number | 18522-01-5 |
|---|---|
| SMILES | C1CCCC2(CC1)NC3=C(CCCCC3)C(=S)S2 |
Product Overview
NCI60_001413 (CAS 18522-01-5), with molecular formula C15H23NS2 and molecular weight 281.13 g/mol. IUPAC: spiro[1,5,6,7,8,9-hexahydrocyclohepta[d][1,3]thiazine-2,1'-cycloheptane]-4-thione.
Chemical Property Profile of NCI60_001413
Property Insights of NCI60_001413
The XLogP value of 4.9189 indicates that NCI60_001413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, NCI60_001413 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_001413 has 1 hydrogen bond donor(s) and 3 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 NCI60_001413?
The CAS number of NCI60_001413 is 18522-01-5.
What is the molecular formula of NCI60_001413?
The molecular formula of NCI60_001413 is C15H23NS2.
What is the molecular weight of NCI60_001413?
The molecular weight of NCI60_001413 is 281.13 g/mol.
Where can I buy NCI60_001413?
You can request a quote for NCI60_001413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_001413?
Yes, KEHONG BIO provides custom synthesis services for NCI60_001413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.