2'-NH2-dA
TL;DR: 2'-NH2-dA (CAS 104140-64-9) is a chemical compound with molecular formula C14H15Cl2N3OS and molecular weight 343.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-yl)-3-(3,4-dichlorophenyl)urea
Also Known As: 2'-NH2-dA, KST-1A9907, 1-(3,4-dichlorophenyl)-3-(3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-yl)urea, Urea, N-(3,4-dichlorophenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-, 1-(3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-yl)-3-(3,4-dichlorophenyl)urea
| Molecular Formula | C14H15Cl2N3OS |
|---|---|
| Molecular Weight | 343.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.03128 |
| Heavy Atoms | 21 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 104140-64-9 |
|---|---|
| SMILES | C1CCC2C(C1)C(=NS2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl |
| InChIKey | MIVKKWKTIIPNQZ-UHFFFAOYSA-N |
Product Overview
2'-NH2-dA (CAS 104140-64-9), with molecular formula C14H15Cl2N3OS and molecular weight 343.03 g/mol. IUPAC: 1-(3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-yl)-3-(3,4-dichlorophenyl)urea.
Chemical Property Profile of 2'-NH2-dA
Property Insights of 2'-NH2-dA
The XLogP value of 3.7 indicates that 2'-NH2-dA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-NH2-dA. Following Lipinski's Rule of Five, 2'-NH2-dA has 2 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 2'-NH2-dA?
The CAS number of 2'-NH2-dA is 104140-64-9.
What is the molecular formula of 2'-NH2-dA?
The molecular formula of 2'-NH2-dA is C14H15Cl2N3OS.
What is the molecular weight of 2'-NH2-dA?
The molecular weight of 2'-NH2-dA is 343.03 g/mol.
Where can I buy 2'-NH2-dA?
You can request a quote for 2'-NH2-dA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-NH2-dA?
Yes, KEHONG BIO provides custom synthesis services for 2'-NH2-dA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.