10X-0113
TL;DR: 10X-0113 (CAS 860644-74-2) is a chemical compound with molecular formula C16H17N3S and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-thiophen-2-yl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),4-diene-4-carbonitrile
Also Known As: 10X-0113, 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile, 5-methyl-3-(thiophen-2-yl)-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),4-diene-4-carbonitrile, 5-methyl-3-(2-thienyl)-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),4-diene-4-carbonitrile, 5-METHYL-3-(2-THIENYL)-1,6-DIAZATRICYCLO[6.2.2.0(2,7)]DODECA-2(7),4-DIENE-4-CARBONITRILE
| Molecular Formula | C16H17N3S |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 3.16968 |
| Topological Polar Surface Area | 39.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.11432 |
| Heavy Atoms | 20 |
| Complexity | 639.7619 |
Chemical Identifiers
| CAS Number | 860644-74-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)C3CCN2CC3)C4=CC=CS4)C#N |
Product Overview
10X-0113 (CAS 860644-74-2), with molecular formula C16H17N3S and molecular weight 283.11 g/mol. IUPAC: 5-methyl-3-thiophen-2-yl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),4-diene-4-carbonitrile.
Chemical Property Profile of 10X-0113
Property Insights of 10X-0113
The XLogP value of 3.16968 indicates that 10X-0113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.06 Ų, 10X-0113 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10X-0113 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 10X-0113?
The CAS number of 10X-0113 is 860644-74-2.
What is the molecular formula of 10X-0113?
The molecular formula of 10X-0113 is C16H17N3S.
What is the molecular weight of 10X-0113?
The molecular weight of 10X-0113 is 283.11 g/mol.
Where can I buy 10X-0113?
You can request a quote for 10X-0113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10X-0113?
Yes, KEHONG BIO provides custom synthesis services for 10X-0113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.