RefChem:531039
TL;DR: RefChem:531039 (CAS 877964-68-6) is a chemical compound with molecular formula C12H14ClN3S and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine
Also Known As: 2-(chloromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine, 5-(Chloromethyl)-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraen-3-amine, 5-(chloromethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine, 4-Amino-2-(chloromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine, 5H-Cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine, 2-(chloromethyl)-6,7,8,9-tetrahydro-
| Molecular Formula | C12H14ClN3S |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 3.2812 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.0597 |
| Heavy Atoms | 17 |
| Complexity | 564.36633 |
Chemical Identifiers
| CAS Number | 877964-68-6 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=NC(=NC(=C23)N)CCl |
Product Overview
RefChem:531039 (CAS 877964-68-6), with molecular formula C12H14ClN3S and molecular weight 267.06 g/mol. IUPAC: 5-(chloromethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine.
Chemical Property Profile of RefChem:531039
Property Insights of RefChem:531039
The XLogP value of 3.2812 indicates that RefChem:531039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, RefChem:531039 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:531039 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 RefChem:531039?
The CAS number of RefChem:531039 is 877964-68-6.
What is the molecular formula of RefChem:531039?
The molecular formula of RefChem:531039 is C12H14ClN3S.
What is the molecular weight of RefChem:531039?
The molecular weight of RefChem:531039 is 267.06 g/mol.
Where can I buy RefChem:531039?
You can request a quote for RefChem:531039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:531039?
Yes, KEHONG BIO provides custom synthesis services for RefChem:531039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.