MixCom6_002526
TL;DR: MixCom6_002526 (CAS 297157-72-3) is a chemical compound with molecular formula C12H13N3O5S and molecular weight 311.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-dimethyl-6-(5-nitrothiophen-2-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: MixCom6_002526, BIM-0047597.P001, A2313/0097590, methyl 1,6-dimethyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 3,4-dimethyl-6-(5-nitro(2-thienyl))-2-oxo-1,3,6-trihydropyrimidine-5-ca rboxylate
| Molecular Formula | C12H13N3O5S |
|---|---|
| Molecular Weight | 311.06 g/mol |
| LogP | 1.7994 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0576 |
| Heavy Atoms | 21 |
| Complexity | 651.073 |
Chemical Identifiers
| CAS Number | 297157-72-3 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC=C(S2)[N+](=O)[O-])C(=O)OC |
Product Overview
MixCom6_002526 (CAS 297157-72-3), with molecular formula C12H13N3O5S and molecular weight 311.06 g/mol. IUPAC: methyl 3,4-dimethyl-6-(5-nitrothiophen-2-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of MixCom6_002526
Property Insights of MixCom6_002526
The XLogP value of 1.7994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_002526. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002526. Following Lipinski's Rule of Five, MixCom6_002526 has 1 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 MixCom6_002526?
The CAS number of MixCom6_002526 is 297157-72-3.
What is the molecular formula of MixCom6_002526?
The molecular formula of MixCom6_002526 is C12H13N3O5S.
What is the molecular weight of MixCom6_002526?
The molecular weight of MixCom6_002526 is 311.06 g/mol.
Where can I buy MixCom6_002526?
You can request a quote for MixCom6_002526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002526?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.