UPCMLD0ENAT0513-7622:001
TL;DR: UPCMLD0ENAT0513-7622:001 (CAS 314261-32-0) is a chemical compound with molecular formula C24H25N3O6S3 and molecular weight 547.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 3-methyl-5-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: UPCMLD0ENAT0513-7622:001, F0863-0368, AF-399/15031073, 4-ethyl 2-methyl 5-({[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate, 4-ethyl 2-methyl 3-methyl-5-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate
| Molecular Formula | C24H25N3O6S3 |
|---|---|
| Molecular Weight | 547.09 g/mol |
| LogP | 4.19672 |
| Topological Polar Surface Area | 116.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 547.0906 |
| Heavy Atoms | 36 |
| Complexity | 1435.1927 |
Chemical Identifiers
| CAS Number | 314261-32-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C |
Product Overview
UPCMLD0ENAT0513-7622:001 (CAS 314261-32-0), with molecular formula C24H25N3O6S3 and molecular weight 547.09 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 3-methyl-5-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of UPCMLD0ENAT0513-7622:001
Property Insights of UPCMLD0ENAT0513-7622:001
The XLogP value of 4.19672 indicates that UPCMLD0ENAT0513-7622:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.59 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0513-7622:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-7622:001 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-7622:001?
The CAS number of UPCMLD0ENAT0513-7622:001 is 314261-32-0.
What is the molecular formula of UPCMLD0ENAT0513-7622:001?
The molecular formula of UPCMLD0ENAT0513-7622:001 is C24H25N3O6S3.
What is the molecular weight of UPCMLD0ENAT0513-7622:001?
The molecular weight of UPCMLD0ENAT0513-7622:001 is 547.09 g/mol.
Where can I buy UPCMLD0ENAT0513-7622:001?
You can request a quote for UPCMLD0ENAT0513-7622:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-7622:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-7622:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.