UPCMLD0ENAT5890797:001
TL;DR: UPCMLD0ENAT5890797:001 (CAS 379239-20-0) is a chemical compound with molecular formula C21H23N3O3S3 and molecular weight 461.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: UPCMLD0ENAT5890797:001, AF-399/40851252, F1174-3076, methyl 2-(2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, METHYL 2-[2-({5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4-YL}SULFANYL)ACETAMIDO]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H23N3O3S3 |
|---|---|
| Molecular Weight | 461.09 g/mol |
| LogP | 5.15594 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.09015 |
| Heavy Atoms | 30 |
| Complexity | 1119.8325 |
Chemical Identifiers
| CAS Number | 379239-20-0 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC)C |
Product Overview
UPCMLD0ENAT5890797:001 (CAS 379239-20-0), with molecular formula C21H23N3O3S3 and molecular weight 461.09 g/mol. IUPAC: methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5890797:001
Property Insights of UPCMLD0ENAT5890797:001
The XLogP value of 5.15594 indicates that UPCMLD0ENAT5890797:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5890797:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5890797:001 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5890797:001?
The CAS number of UPCMLD0ENAT5890797:001 is 379239-20-0.
What is the molecular formula of UPCMLD0ENAT5890797:001?
The molecular formula of UPCMLD0ENAT5890797:001 is C21H23N3O3S3.
What is the molecular weight of UPCMLD0ENAT5890797:001?
The molecular weight of UPCMLD0ENAT5890797:001 is 461.09 g/mol.
Where can I buy UPCMLD0ENAT5890797:001?
You can request a quote for UPCMLD0ENAT5890797:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5890797:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5890797:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.