3H-431S
TL;DR: 3H-431S (CAS 338409-54-4) is a chemical compound with molecular formula C15H14ClNO4S and molecular weight 339.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(3-chloropropanoyloxy)-5-methyl-1,3-thiazol-2-yl]benzoate
Also Known As: 3H-431S, methyl 4-{4-[(3-chloropropanoyl)oxy]-5-methyl-1,3-thiazol-2-yl}benzenecarboxylate, Methyl 4-[4-(3-chloropropanoyloxy)-5-methyl-1,3-thiazol-2-yl]benzoate, methyl 4-{4-[(3-chloropropanoyl)oxy]-5-methyl-1,3-thiazol-2-yl}benzoate, methyl 4-[4-(3-chloropropanoyloxy)-5-methyl-thiazol-2-yl]benzoate
| Molecular Formula | C15H14ClNO4S |
|---|---|
| Molecular Weight | 339.03 g/mol |
| LogP | 3.43942 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.0332 |
| Heavy Atoms | 22 |
| Complexity | 681.35095 |
Chemical Identifiers
| CAS Number | 338409-54-4 |
|---|---|
| SMILES | CC1=C(N=C(S1)C2=CC=C(C=C2)C(=O)OC)OC(=O)CCCl |
Product Overview
3H-431S (CAS 338409-54-4), with molecular formula C15H14ClNO4S and molecular weight 339.03 g/mol. IUPAC: methyl 4-[4-(3-chloropropanoyloxy)-5-methyl-1,3-thiazol-2-yl]benzoate.
Chemical Property Profile of 3H-431S
Property Insights of 3H-431S
The XLogP value of 3.43942 indicates that 3H-431S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-431S. Following Lipinski's Rule of Five, 3H-431S 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 3H-431S?
The CAS number of 3H-431S is 338409-54-4.
What is the molecular formula of 3H-431S?
The molecular formula of 3H-431S is C15H14ClNO4S.
What is the molecular weight of 3H-431S?
The molecular weight of 3H-431S is 339.03 g/mol.
Where can I buy 3H-431S?
You can request a quote for 3H-431S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-431S?
Yes, KEHONG BIO provides custom synthesis services for 3H-431S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.