UPCMLD0ENAT0513-7589:001
TL;DR: UPCMLD0ENAT0513-7589:001 (CAS 314261-38-6) is a chemical compound with molecular formula C27H27N3O2S2 and molecular weight 489.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: UPCMLD0ENAT0513-7589:001, AF-399/15031076, 10-({2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 3-allyl-2-({2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 10-[2-[2,5-Dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C27H27N3O2S2 |
|---|---|
| Molecular Weight | 489.15 g/mol |
| LogP | 5.82366 |
| Topological Polar Surface Area | 56.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.15448 |
| Heavy Atoms | 34 |
| Complexity | 1489.3259 |
Chemical Identifiers
| CAS Number | 314261-38-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3CC=C)C |
Product Overview
UPCMLD0ENAT0513-7589:001 (CAS 314261-38-6), with molecular formula C27H27N3O2S2 and molecular weight 489.15 g/mol. IUPAC: 10-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of UPCMLD0ENAT0513-7589:001
Property Insights of UPCMLD0ENAT0513-7589:001
The XLogP value of 5.82366 indicates that UPCMLD0ENAT0513-7589:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.89 Ų, UPCMLD0ENAT0513-7589:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-7589:001 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 UPCMLD0ENAT0513-7589:001?
The CAS number of UPCMLD0ENAT0513-7589:001 is 314261-38-6.
What is the molecular formula of UPCMLD0ENAT0513-7589:001?
The molecular formula of UPCMLD0ENAT0513-7589:001 is C27H27N3O2S2.
What is the molecular weight of UPCMLD0ENAT0513-7589:001?
The molecular weight of UPCMLD0ENAT0513-7589:001 is 489.15 g/mol.
Where can I buy UPCMLD0ENAT0513-7589:001?
You can request a quote for UPCMLD0ENAT0513-7589:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-7589:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-7589:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.