UPCMLD0ENAT0513-7752:001
TL;DR: UPCMLD0ENAT0513-7752:001 (CAS 315685-65-5) is a chemical compound with molecular formula C28H29N3O2S2 and molecular weight 503.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0513-7752:001, F1174-1688, AF-399/15334035, 3-ALLYL-2-{[2-(2,5-DIMETHYL-1-PHENYL-1H-PYRROL-3-YL)-2-OXOETHYL]SULFANYL}-7-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 5-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C28H29N3O2S2 |
|---|---|
| Molecular Weight | 503.17 g/mol |
| LogP | 6.15134 |
| Topological Polar Surface Area | 56.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.1701 |
| Heavy Atoms | 35 |
| Complexity | 1494.408 |
Chemical Identifiers
| CAS Number | 315685-65-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=C(N(C(=C4)C)C5=CC=CC=C5)C)CC=C |
Product Overview
UPCMLD0ENAT0513-7752:001 (CAS 315685-65-5), with molecular formula C28H29N3O2S2 and molecular weight 503.17 g/mol. IUPAC: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0513-7752:001
Property Insights of UPCMLD0ENAT0513-7752:001
The XLogP value of 6.15134 indicates that UPCMLD0ENAT0513-7752:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.89 Ų, UPCMLD0ENAT0513-7752:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-7752:001 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-7752:001?
The CAS number of UPCMLD0ENAT0513-7752:001 is 315685-65-5.
What is the molecular formula of UPCMLD0ENAT0513-7752:001?
The molecular formula of UPCMLD0ENAT0513-7752:001 is C28H29N3O2S2.
What is the molecular weight of UPCMLD0ENAT0513-7752:001?
The molecular weight of UPCMLD0ENAT0513-7752:001 is 503.17 g/mol.
Where can I buy UPCMLD0ENAT0513-7752:001?
You can request a quote for UPCMLD0ENAT0513-7752:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-7752:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-7752:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.