11D-113S
TL;DR: 11D-113S (CAS 477852-18-9) is a chemical compound with molecular formula C12H8ClN3O2S2 and molecular weight 324.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiophene-2-carboxylate
Also Known As: 11D-113S, methyl 3-{[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylene]amino}-2-thiophenecarboxylate, methyl 3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiophene-2-carboxylate, methyl 3-[(E)-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methylidene)amino]thiophene-2-carboxylate, methyl3-[(E)-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methylidene)amino]thiophene-2-carboxylate
| Molecular Formula | C12H8ClN3O2S2 |
|---|---|
| Molecular Weight | 324.97 g/mol |
| LogP | 3.6479 |
| Topological Polar Surface Area | 55.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.97464 |
| Heavy Atoms | 20 |
| Complexity | 802.694 |
Chemical Identifiers
| CAS Number | 477852-18-9 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N=CC2=C(N=C3N2C=CS3)Cl |
Product Overview
11D-113S (CAS 477852-18-9), with molecular formula C12H8ClN3O2S2 and molecular weight 324.97 g/mol. IUPAC: methyl 3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiophene-2-carboxylate.
Chemical Property Profile of 11D-113S
Property Insights of 11D-113S
The XLogP value of 3.6479 indicates that 11D-113S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.96 Ų, 11D-113S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11D-113S has 0 hydrogen bond donor(s) and 6 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 11D-113S?
The CAS number of 11D-113S is 477852-18-9.
What is the molecular formula of 11D-113S?
The molecular formula of 11D-113S is C12H8ClN3O2S2.
What is the molecular weight of 11D-113S?
The molecular weight of 11D-113S is 324.97 g/mol.
Where can I buy 11D-113S?
You can request a quote for 11D-113S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11D-113S?
Yes, KEHONG BIO provides custom synthesis services for 11D-113S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.